ATB | Existing Molecules

Selected Molecules (1-100 of 519,608)

Molid >	Formula	Iupac	Common Name	Chembl Id	Clinical Phase	Atoms	Charge	Curation	Visibility
8	C₄H₁₀	2-Methylpropane	Isobutane	2106398		14	0	ATB	Public
10	CH₄S	METHANETHIOL	Methanethiol			6	0	ATB	Public
12	C₃H₈S	methylsulfanylethane	Methylthioethane			12	0	ATB	Public
13	C₄H₆N₂	-	-			12	0	ATB	Public
14	C₉H₉N	3-Methyl-1H-indole	Skatole	1329793		19	0	ATB	Public
15	C₄H₁₁N	butan-1-amine	n-butylamine	13968		16	0	ATB	Public
16	C₄H₁₁N₃	2-propylguanidine	1-Propylguanidine			18	0	ATB	Public
17	C₇H₈O	4-Methylphenol	4-Methylphenol	16645		16	0	ATB	Public
18	C₃H₈	PROPANE	Propane	135416		11	0	ATB	Public
19	C₃H₇NO	Propanamide	Propionamide	1235716		12	0	ATB	Public
20	C₃H₆O₂	Propanoic acid	Propionicacid	14021		11	0	ATB	Public
21	C₇H₈	methylbenzene	Toluene	9113		15	0	ATB	Public
22	C₂H₄O₂	acetic acid	Aceticacid	539		8	0	ATB	Public
27	C₅H₉O₁₀P₂	-	-			26	-3	ATB	Public
33	C₂H₅NO	ACETAMIDE	Acetamide	16081	2	9	0	ATB	Public
34	C₁₄H₁₄FN₃O₂S	5-(4-fluorophenyl)-N ...	5-(4-Fluorophenyl)-N ...			35	0	ATB	Public
37	C₅H₁₁NO₃S	-	-			21	0	ATB	Public
38	C₈H₁₆N₂O₃S	-	-			30	0	ATB	Public
43	O₂	Molecular oxygen	MolecularOxygen	1234886		2	0	ATB	Public
49	C₁₀H₁₂N₅O₁₁P₂	-	-			40	-3	ATB	Public
51	C₁₀H₁₂N₅O₁₃P₃	-	-			43	-4	ATB	Public
58	C₂₇H₃₈N₂O₄	(2R)-2-(3,4-dimethox ...	Dexverapamil	197		71	0	ATB	Public
63	C₈H₁₀O	2-PHENYLETHANOL	Phenylethylalcohol	448500	4	19	0	ATB	Public
64	C₁₁H₁₀NO₃	-	-			25	-1	ATB	Public
76	C₁₀H₁₂N₅O₁₄P₃	-	-			44	-4	ATB	Public
87	C₁₀H₁₂N₅O₁₀P₂	-	-			39	-3	ATB	Public
91	C₉H₄Cl₂N	-	-			16	1	ATB	Public
92	C₉H₁₀Cl₂N	-	-			22	1	ATB	Public
98	C₇H₁₂NO₂	-	-			22	-1	ATB	Public
100	C₅H₉O₁₃P₃	-	-			30	-4	ATB	Public
102	C₂H₆O₁₀P₃	-	-			21	-3	ATB	Public
103	C₉H₁₁N₅O₃	(2R,3R,4R)-2-(6-aminopurin-9-yl)oxolane-3,4-diol ...	-			28	0	ATB	Public
104	C₉H₁₁N₅O₄	-	-			29	0	ATB	Public
113	C₃H₈O	Propan-2-ol	Isopropanol	582		12	0	ATB	Public
118	C₁₀H₁₂BrN₅O₄	(2R,3R,4S,5R)-2-(6-a ...	-	1775009		32	0	ATB	Public
121	C₅H₄BrN₅	-	-			15	0	ATB	Public
122	C₆H₁₁NO₂	Piperidine-4-carboxylic acid ...	Isonipecoticacid	279998		20	0	ATB	Public
123	C₆H₁₂N₂O	Piperidine-4-carboxamide ...	Piperidin-4-carboxamid ...			21	0	ATB	Public
125	C₄H₃BrN₂O₂	5-bromo-1H-pyrimidine-2,4-dione ...	5-Bromouracil	144730		12	0	ATB	Public
126	C₄H₂Br₂N₂O₃	5,5-dibromo-1,3-diazinane-2,4,6-trione ...	5,5-Dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione ...			13	0	ATB	Public
127	C₇H₄ClNOS	5-chloro-3H-1,3-benzoxazole-2-thione ...	5-Chloro-benzooxazole-2-thiol ...	99703		15	0	ATB	Public
128	C₉H₁₃N₂O₂S	-	-			27	1	ATB	Public
139	C₄H₅N₃	-	-			12	0	ATB	Public
140	C₄H₆N₄	-	-			14	0	ATB	Public
144	C₇H₉N	3-Methylaniline	3-Toluidine	3182179		17	0	ATB	Public
146	C₈H₈N₂	-	-			18	0	ATB	Public
152	C₆H₆O₂	benzene-1,3-diol	Resorcinol	24147		14	0	ATB	Public
153	C₇H₉N	4-Methylaniline	p-Toluidine	58521		17	0	ATB	Public
158	C₈H₉N₃	-	-	1232570		20	0	ATB	Public
161	C₅H₄N₄S	-	-			14	0	ATB	Public
163	None	-	-			13	0	Manual*	Public
164	None	-	-			27	1	Manual*	Public
165	None	-	-			26	0	Manual*	Public
166	None	-	-			17	0	Manual*	Public
167	None	-	-			14	-1	Manual*	Public
168	None	-	-			15	0	Manual*	Public
169	None	-	-			13	0	Manual*	Public
170	None	-	-			14	0	Manual*	Public
171	None	-	-			14	0	Manual*	Public
172	None	-	-			14	0	Manual*	Public
173	None	-	-			20	0	Manual*	Public
174	None	-	-			19	-1	Manual*	Public
175	None	-	-			19	0	Manual*	Public
176	None	-	-			20	0	Manual*	Public
177	None	-	-			20	0	Manual*	Public
178	None	-	-			21	1	Manual*	Public
179	C₅H₅N₅	-	-		1	15	0	ATB	Public
181	C₅H₅NO	-	-			12	0	ATB	Public
182	C₄H₅N₃	-	-			12	0	ATB	Public
183	C₇H₇N₃	1H-Indazol-6-amine	1H-Indazol-6-amine	594707		17	0	ATB	Public
186	C₇H₅ClN₂	-	-			15	0	ATB	Public
188	C₇H₉N₂	-	-			18	1	ATB	Public
193	C₆H₁₄NO	-	-			22	1	ATB	Public
194	C₆H₁₆N₂	-	-			24	2	ATB	Public
195	C₅H₁₂NO	-	-			19	1	ATB	Public
197	C₇H₁₄NO₂	-	-			24	1	ATB	Public
199	C₃H₇NO₂S	-	-			14	0	ATB	Public
203	None	-	-			22	0	Manual*	Public
204	None	-	-			22	0	Manual*	Public
205	None	-	-			24	0	Manual*	Public
206	None	-	-			25	1	Manual*	Public
207	None	-	-			20	0	Manual*	Public
208	None	-	-			23	0	Manual*	Public
209	C₆H₁₃N₂O	-	-			22	1	ATB	Public
210	None	-	-			17	0	Manual*	Public
211	None	-	-			14	0	Manual*	Public
212	None	-	-			17	0	Manual*	Public
213	None	-	-			27	0	Manual*	Public
214	None	-	-			24	0	Manual*	Public
215	None	-	-			19	0	Manual*	Public
216	None	-	-			13	0	Manual*	Public
217	C₈H₁₀O₂	(2-methoxyphenyl)methanol ...	o-methoxybenzylalcohol ...			20	0	ATB	Public
218	C₉H₆ClNO	-	cloxyquin	225164		18	0	ATB	Public
219	C₇H₇FO₂	4-Fluoro-2-methoxyphenol ...	4-Fluoro-2-methoxyphenol ...			17	0	ATB	Public
220	C₆H₉NS	-	Trimethylthiazole			17	0	ATB	Public
221	C₅H₆N₂O₂	5-methyl-1H-pyrimidine-2,4-dione ...	Thymine	993		15	0	ATB	Public
222	C₁₀H₈ClNO	1-(6-chloroindol-1-yl)ethanone ...	1-(6-Chloro-1H-indol-1-yl)ethanone ...			21	0	ATB	Public
224	C₈H₆ClNO	6-chloro-1,3-dihydroindol-2-one ...	6-Chloro2-oxindole	1232568		17	0	ATB	Public
225	C₃H₄N₂S	-	-			10	0	ATB	Public
226	C₉H₆O₂	chromen-4-one	Chromone	13311		17	0	ATB	Public