ATB | Existing Molecules

Selected Molecules (1-100 of 257,787)

Molid	Formula	Iupac	Common Name	Chembl Id	Atoms	Charge	Date	Curation	Visibility
339164	C₃H₁₀NO₃	tris(hydroxymethyl)azanium ...	-		17	1	2018-10-20	ATB	Public
339116	C₂₁H₃₀N₇O₁₇P₃	-	NADPH		78	0	2018-10-20	ATB	Public
339111	C₁₃H₂₀O₂	1-ethoxy-3-pentoxybenzene ...	-	2252484	35	0	2018-10-20	ATB	Public
339110	C₁₃H₂₀O₂	1-ethoxy-3-(3-methylbutoxy)benzene ...	-	2252477	35	0	2018-10-20	ATB	Public
339109	C₁₃H₂₀O₂	1-butoxy-3-propoxybenzene ...	-	2252474	35	0	2018-10-20	ATB	Public
339107	C₁₃H₂₀O₂	1-butoxy-2-propoxybenzene ...	-	2252457	35	0	2018-10-20	ATB	Public
339106	C₁₃H₂₀O₂	1-ethoxy-2-(3-methylbutoxy)benzene ...	-	2252453	35	0	2018-10-20	ATB	Public
339105	C₂₈H₂₄Cl₂N₂O₇S₂	(2S)-2-[[2,6-dichlor ...	-		65	0	2018-10-20	ATB	Public
339102	C₅H₇NS	3,5-dimethyl-1,2-thiazole ...	-		14	0	2018-10-20	ATB	Public
339094	C₁₄H₈O₅	1,2,4-trihydroxyanthracene-9,10-dione ...	-		27	0	2018-10-20	ATB	Public
339093	C₉H₇NO	-	2-Phenyloxazole		18	0	2018-10-20	ATB	Public
339086	C₁₄H₁₆N₄O	-	-	2252035	35	0	2018-10-20	ATB	Public
339084	C₁₄H₁₆N₄O	-	-	2252012	35	0	2018-10-20	ATB	Public
339083	C₁₃H₁₆ClN₃O₂	-	-	2251222	35	0	2018-10-20	ATB	Public
339081	C₁₃H₁₆Cl₂N₄	-	-	2251928	35	0	2018-10-20	ATB	Public
339072	C₁₃H₁₈N₂O₂	2-methoxy-N-piperidin-1-ylbenzamide ...	-	2251386	35	0	2018-10-20	ATB	Public
339062	C₁₆H₁₃FN₄O	-	-	2238443	35	0	2018-10-20	ATB	Public
339061	C₁₆H₁₃FN₄O	-	-	2238442	35	0	2018-10-20	ATB	Public
339058	C₁₄H₁₇N₃O	-	-	2238193	35	0	2018-10-20	ATB	Public
339057	C₁₀H₁₇N₅O₂S	-	-	2238180	35	0	2018-10-20	ATB	Public
339056	C₁₄H₁₅ClN₂O₂S	-	-	2238169	35	0	2018-10-20	ATB	Public
339054	C₁₃H₁₃N₅O₄	-	-	2238082	35	0	2018-10-20	ATB	Public
339047	C₁₇H₁₂Cl₃N₃	-	-	2237751	35	0	2018-10-20	ATB	Public
339044	C₁₆H₁₅NO₃	(E)-3-(2,5-dimethoxyphenyl)-1-pyridin-2-ylprop-2-en-1-one ...	-	2237707	35	0	2018-10-20	ATB	Public
339042	C₁₆H₁₅NO₃	(E)-3-(2,4-dimethoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one ...	-	2237706	35	0	2018-10-20	ATB	Public
339040	C₁₆H₁₆O₃	1-(2,4-dimethoxyphenyl)-2-phenylethanone ...	-	2237521	35	0	2018-10-20	ATB	Public
339039	C₁₆H₁₅NO₂S	-	-	2237493	35	0	2018-10-20	ATB	Public
339035	C₁₆H₁₅N₃S	-	-	2237386	35	0	2018-10-20	ATB	Public
339031	C₁₄H₁₃Cl₂N₃O₃	-	-	2237361	35	0	2018-10-20	ATB	Public
339029	C₄H₅P	-	-		10	0	2018-10-19	ATB	Public
339028	C₃₀₀H₃₀₂O₂₀₀	-	-		802	-100	2018-10-19	Template	Public
339027	C₅H₁₄NO	2-hydroxyethyl-trimethylazanium ...	2-(trimethyl-λ⁴-azanyl)ethanol ...	920	21	1	2018-10-19	ATB	Public
339026	C₃₀₀H₃₄₂O₂₀₀	-	-		842	-60	2018-10-19	Template	Public
339025	C₃₀₀H₃₂₂O₂₀₀	-	-		822	-80	2018-10-19	Template	Public
339021	C₁₇H₁₄O₄	-	-	2237322	35	0	2018-10-20	ATB	Public
339020	C₁₅H₁₅NO₃S	-	-	2237238	35	0	2018-10-20	ATB	Public
339019	C₁₃H₁₅N₃O₃S	-	-	2237098	35	0	2018-10-20	ATB	Public
339018	C₃₀₀H₃₆₂O₂₀₀	-	-		862	-40	2018-10-19	Template	Public
339017	C₃₀₀H₃₈₂O₂₀₀	-	-		882	-20	2018-10-19	Template	Public
339016	C₃₀₀H₄₀₂O₂₀₀	-	-		902	0	2018-10-19	Template	Public
339015	C₁₄H₁₆N₄S	-	-	2237081	35	0	2018-10-20	ATB	Public
339014	C₁₄H₁₆N₄S	-	-	2237077	35	0	2018-10-20	ATB	Public
339013	C₁₆H₁₅NO₂S	-	-	2237068	35	0	2018-10-20	ATB	Public
339012	C₁₆H₁₅NO₂S	-	-	2237063	35	0	2018-10-20	ATB	Public
339011	C₁₉H₁₄O₂	-	-	2237030	35	0	2018-10-20	ATB	Public
339007	C₁₆H₁₃FN₂O₃	-	-	2236730	35	0	2018-10-20	ATB	Public
339005	C₁₅H₁₄N₄O₂	-	-	2236580	35	0	2018-10-20	ATB	Public
339004	C₁₅H₁₄N₄O₂	3-nitro-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-2-amine ...	-	2234039	35	0	2018-10-20	ATB	Public
339003	C₂₄₀H₂₄₂O₁₆₀	-	-		642	-80	2018-10-19	Template	Public
339002	C₂₄₀H₂₅₈O₁₆₀	-	-		658	-64	2018-10-19	Template	Public
339001	C₂₄₀H₂₇₄O₁₆₀	-	-		674	-48	2018-10-19	Template	Public
339000	C₂₄₀H₂₉₀O₁₆₀	-	-		690	-32	2018-10-19	Template	Public
338999	C₂₄₀H₃₀₆O₁₆₀	-	-		706	-16	2018-10-19	Template	Public
338998	C₂₄₀H₃₂₂O₁₆₀	-	-		722	0	2018-10-19	Template	Public
338997	C₁₃H₁₆N₄O₂	-	-	2236578	35	0	2018-10-20	ATB	Public
338995	C₁₄H₁₆N₄O	-	-	2236281	35	0	2018-10-20	ATB	Public
338994	C₁₄H₁₅ClN₂O₂S	-	-	2236204	35	0	2018-10-20	ATB	Public
338993	C₁₄H₁₆N₂O₂S	-	-	2236203	35	0	2018-10-20	ATB	Public
338990	C₁₆H₁₃ClN₂O₃	-	-	2236167	35	0	2018-10-20	ATB	Public
338989	C₁₄H₁₆N₂O₃	-	-	2236023	35	0	2018-10-20	ATB	Public
338988	C₁₄H₁₆N₂O₃	-	-	2236022	35	0	2018-10-20	ATB	Public
338986	C₁₃H₁₇N₃O₂	2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethanol ...	-	2235933	35	0	2018-10-20	ATB	Public
338985	C₁₅H₁₄N₂O₄	-	-	2235735	35	0	2018-10-20	ATB	Public
338980	C₁₃H₁₇NO₄	-	-	2235573	35	0	2018-10-19	ATB	Public
338979	C₁₃H₁₇NO₄	-	-	2235572	35	0	2018-10-19	ATB	Public
338977	C₁₃H₁₄N₄O₃S	-	-	2235555	35	0	2018-10-20	ATB	Public
338974	C₂₉H₅₀O₂	(2R)-2,5,7,8-TETRAME ...	Tocopherol	47	81	0	2018-10-18	ATB	Public
338970	C₁₇H₁₂ClN₃OS	-	-	2235349	35	0	2018-10-20	ATB	Public
338968	C₁₆H₁₃N₅O	-	-	2235320	35	0	2018-10-20	ATB	Public
338967	C₁₄H₁₈N₂O	-	-	2235303	35	0	2018-10-19	ATB	Public
338966	C₁₄H₁₇N₃S	-	-	2235280	35	0	2018-10-20	ATB	Public
338965	C₁₆H₁₄ClNO₃	-	(2E)-3-[4-(3-Chloro- ...	2235252	35	0	2018-10-20	ATB	Public
338964	C₁₇H₁₁N₃O₃S	-	4-(4-Methoxyphenyl)- ...	2235183	35	0	2018-10-20	ATB	Public
338963	C₁₇H₁₁BrN₄O₂	-	6-(4-Bromophenyl)-4- ...	2235181	35	0	2018-10-20	ATB	Public
338959	C₁₉H₁₁Cl₂FO₂	3-[5-(3,4-dichloroph ...	(2E)-3-[5-(3,4-Dichl ...	2235068	35	0	2018-10-20	ATB	Public
338956	C₁₉H₁₂Cl₂O₂	(E)-3-[5-(3,4-dichlo ...	(2E)-3-[5-(3,4-Dichl ...	2235063	35	0	2018-10-20	ATB	Public
338954	C₁₃H₁₆ClN₃OS	-	N-(6-Chloro-1,3-benz ...	2235020	35	0	2018-10-19	ATB	Public
338951	C₁₄H₁₆ClN₃S	-	(2Z)-N,N-Diallyl-2-( ...	2234927	35	0	2018-10-19	ATB	Public
338950	C₁₅H₁₅N₃O₂	-	N'-[(Z)-(2-Ethoxyphenyl)methylene]isonicotinohydrazide ...	2234912	35	0	2018-10-19	ATB	Public
338945	C₁₉H₁₂BrNO₂	-	2-Benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione ...	2234774	35	0	2018-10-20	ATB	Public
338944	C₁₇H₁₄O₄	-	4-[(3-Hydroxyphenoxy)methyl]-7-methyl-2H-chromen-2-one ...	2234656	35	0	2018-10-20	ATB	Public
338943	C₁₇H₁₄O₄	-	4-[(3-Hydroxyphenoxy)methyl]-6-methyl-2H-chromen-2-one ...	2234655	35	0	2018-10-19	ATB	Public
338942	C₁₆H₁₃ClO₄S	-	6-[3-(4-Chlorophenoxy)propoxy]-1,3-benzoxathiol-2-one ...	2234277	35	0	2018-10-20	ATB	Public
338941	C₁₅H₁₈N₂	-	5-(4-Ethylbenzyl)-1,3-benzenediamine ...	2234255	35	0	2018-10-19	ATB	Public
338940	C₁₈H₁₄ClNO	N-(2-chloro-4-methylphenyl)naphthalene-2-carboxamide ...	N-(2-Chloro-4-methylphenyl)-2-naphthamide ...	2234183	35	0	2018-10-20	ATB	Public
338939	C₁₃H₁₆O₆	-	(2E)-2-(3-Methoxy-5- ...	2230201	35	0	2018-10-19	ATB	Public
338938	C₁₃H₁₆O₆	-	3-Methoxy-2-(3-methy ...	2230200	35	0	2018-10-19	ATB	Public
338937	C₆₅H₉₅N₁₃O₁₄	-	-		187	2	2018-10-18	ATB	Public
338936	C₆₅H₉₅N₁₃O₁₄	-	-		187	2	2018-10-18	ATB	Public
338934	C₁₃H₁₆O₆	-	(2E)-2-(3-Methoxy-5- ...	2230199	35	0	2018-10-19	ATB	Public
338933	C₁₆H₁₄O₅	-	5,7-Dihydroxy-3-(4-m ...	2230142	35	0	2018-10-19	ATB	Public
338929	C₁₅H₁₂N₄O₂S₂	-	Methyl2-{[3-(4-pyrid ...	2230008	35	0	2018-10-20	ATB	Public
338928	C₁₅H₁₂N₄O₂S₂	-	3-(4-Methylphenyl)-5 ...	2230003	35	0	2018-10-20	ATB	Public
338926	C₁₃H₁₅N₃O₄	-	2-[(2E)-2-(Nitromethylene)-1-imidazolidinyl]ethylbenzoate ...	2229773	35	0	2018-10-19	ATB	Public
338925	C₁₀H₁₈N₄O₃	-	N-Nitro-1-[2-(tetrah ...	2229768	35	0	2018-10-19	ATB	Public
338924	C₁₀H₁₉N₃O₃	-	(E)-N-Ethyl-N'-methy ...	2229763	35	0	2018-10-19	ATB	Public
338923	C₁₄H₁₂F₂N₄O₃	-	N-[(6-Ethoxy-3-pyridazinyl)carbamoyl]-2,6-difluorobenzamide ...	2229728	35	0	2018-10-20	ATB	Public
338922	C₁₄H₉F₅N₄O₃	-	2,6-Difluoro-N-{[6-( ...	2229725	35	0	2018-10-20	ATB	Public
338921	C₁₄H₁₈O₃	-	2-(8-Methoxy-2,2-dimethyl-2H-chromen-6-yl)ethanol ...	2229459	35	0	2018-10-19	ATB	Public
338920	C₆H₄F₂	1,2-Difluorobenzene	AW7QGMW29C		12	0	2018-10-18	ATB	Public

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Automated Topology Builder (ATB) and Repository
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Existing Molecules

Selected Molecules (1-100 of 257,787)

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Automated Topology Builder (ATB) and Repository Version 3.0

Existing Molecules

Selected Molecules (1-100 of 257,787)

Can't find your molecule ?

Contact

Contributors

Automated Topology Builder (ATB) and Repository
Version 3.0