ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

20119674

Analogs

39680599
39680600

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5S)-7-[(2,3-difluorophenyl)methyl]-6-oxo-3,7-diazaspiro[4.5]decan-3-yl]-2-oxo-ethyl]acetamide N-[2-[(5S)-7-[(2,3-difluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.40	6.34	-24.45	1	6	0	70	379.407	4	↓ MOL2 SDF SMILES Flexibase

20119676

Analogs

39680599
39680600

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5R)-7-[(2,3-difluorophenyl)methyl]-6-oxo-3,7-diazaspiro[4.5]decan-3-yl]-2-oxo-ethyl]acetamide N-[2-[(5R)-7-[(2,3-difluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.40	6.26	-14.71	1	6	0	70	379.407	4	↓ MOL2 SDF SMILES Flexibase

11813228

Analogs

11813229

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-3,7-diazaspiro[4.5]decan-6-one (5R)-7-(cyclobutylmethyl)-3-[(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	0.74	-38.8	1	4	1	34	343.491	5	↓ MOL2 SDF SMILES Flexibase

11813229

Analogs

11813228

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-3,7-diazaspiro[4.5]decan-6-one (5S)-7-(cyclobutylmethyl)-3-[(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	1.06	-37.89	1	4	1	34	343.491	5	↓ MOL2 SDF SMILES Flexibase

11813464

Analogs

11813465
35526759
35526760

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-(cyclohexanecarbonyl)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-10-one (5R)-2-(cyclohexanecarbonyl)-9-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.47	0.38	-14.3	0	4	0	41	372.484	3	↓ MOL2 SDF SMILES Flexibase

11813465

Analogs

11813464

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-(cyclohexanecarbonyl)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-10-one (5S)-2-(cyclohexanecarbonyl)-9-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.47	0.39	-14.38	0	4	0	41	372.484	3	↓ MOL2 SDF SMILES Flexibase

11813635

Analogs

11813636

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-9-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,9-diazaspiro[4.5]decan-10-one (5R)-9-(2,2-dimethylpropyl)-2-(3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.35	1.74	-43.39	1	5	1	43	333.5	6	↓ MOL2 SDF SMILES Flexibase

11813636

Analogs

11813635

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-9-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,9-diazaspiro[4.5]decan-10-one (5S)-9-(2,2-dimethylpropyl)-2-(3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.35	1.83	-40.22	1	5	1	43	333.5	6	↓ MOL2 SDF SMILES Flexibase

11814392

Analogs

11814394
11841888
11841890
11996755
11996757

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-butanoyl-7-(cyclohexylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-3-butanoyl-7-(cyclohexylmet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	-0.08	-11.89	0	4	0	41	320.477	4	↓ MOL2 SDF SMILES Flexibase

11814394

Analogs

11841888
11841890
11996755
11996757
12709821

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-butanoyl-7-(cyclohexylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-3-butanoyl-7-(cyclohexylmet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	-0.19	-13.34	0	4	0	41	320.477	4	↓ MOL2 SDF SMILES Flexibase

11814484

Analogs

11814486
12055817
12055820

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-(cyclohexylmethyl)-3-(thiophene-3-carbonyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-7-(cyclohexylmethyl)-3-(thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	-1.01	-15.9	0	4	0	41	360.523	3	↓ MOL2 SDF SMILES Flexibase

11814486

Analogs

12055817
12055820
11814484

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-(cyclohexylmethyl)-3-(thiophene-3-carbonyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-7-(cyclohexylmethyl)-3-(thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	-0.92	-16.69	0	4	0	41	360.523	3	↓ MOL2 SDF SMILES Flexibase

11814889

Analogs

11814890
14955550
14955554

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-(2-cyclohexylethyl)-3-[(2-methoxypyrimidin-5-yl)methyl]-3,7-diazaspiro[4.5]decan-6-one (5R)-7-(2-cyclohexylethyl)-3-[(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.71	-2.62	-51.62	1	6	1	60	387.548	6	↓ MOL2 SDF SMILES Flexibase

11814890

Analogs

14955550
14955554
11814889

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-(2-cyclohexylethyl)-3-[(2-methoxypyrimidin-5-yl)methyl]-3,7-diazaspiro[4.5]decan-6-one (5S)-7-(2-cyclohexylethyl)-3-[(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.71	-2.45	-45.72	1	6	1	60	387.548	6	↓ MOL2 SDF SMILES Flexibase

11816054

Analogs

11816056
39634315
39634316
39635543
39635544

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-9-(m-tolylmethyl)-2-(pyridine-2-carbonyl)-2,9-diazaspiro[4.5]decan-10-one (5R)-9-(m-tolylmethyl)-2-(pyridi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	0.04	-15.07	0	5	0	54	363.461	3	↓ MOL2 SDF SMILES Flexibase

11816056

Analogs

39634315
39634316
39635543
39635544
39636559

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-9-(m-tolylmethyl)-2-(pyridine-2-carbonyl)-2,9-diazaspiro[4.5]decan-10-one (5S)-9-(m-tolylmethyl)-2-(pyridi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	0.31	-18.23	0	5	0	54	363.461	3	↓ MOL2 SDF SMILES Flexibase

11816315

Analogs

11816316

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(2,1,3-benzoxadiazol-5-ylmethyl)-7-(cyclopropylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-3-(2,1,3-benzoxadiazol-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	1.18	-56.27	1	6	1	64	341.435	4	↓ MOL2 SDF SMILES Flexibase

11816316

Analogs

11816315

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(2,1,3-benzoxadiazol-5-ylmethyl)-7-(cyclopropylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-3-(2,1,3-benzoxadiazol-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	1.25	-51.29	1	6	1	64	341.435	4	↓ MOL2 SDF SMILES Flexibase

11816634

Analogs

11816635

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-9-[(2-fluoro-5-methoxy-phenyl)methyl]-2-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-10-one (5S)-9-[(2-fluoro-5-methoxy-phen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.00	0.16	-20.34	0	5	0	50	402.491	4	↓ MOL2 SDF SMILES Flexibase

11816635

Analogs

11816634

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-9-[(2-fluoro-5-methoxy-phenyl)methyl]-2-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-10-one (5R)-9-[(2-fluoro-5-methoxy-phen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.00	-0.17	-16.68	0	5	0	50	402.491	4	↓ MOL2 SDF SMILES Flexibase

11817168

Analogs

11817169

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-9-(m-tolylmethyl)-2-tetrahydrothiopyran-4-yl-2,9-diazaspiro[4.5]decan-10-one (5S)-9-(m-tolylmethyl)-2-tetrahy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.04	0.2	-41.75	1	3	1	25	359.559	3	↓ MOL2 SDF SMILES Flexibase

11817169

Analogs

11817168

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-9-(m-tolylmethyl)-2-tetrahydrothiopyran-4-yl-2,9-diazaspiro[4.5]decan-10-one (5R)-9-(m-tolylmethyl)-2-tetrahy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.04	0.2	-41.88	1	3	1	25	359.559	3	↓ MOL2 SDF SMILES Flexibase

11817198

Analogs

11817199
11879324
11879325

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-isopropyl-7-[(3-methoxyphenyl)methyl]-6-oxo-3,7-diazaspiro[4.5]decane-3-carboxamide (5S)-N-isopropyl-7-[(3-methoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	-1.61	-20.71	1	6	0	62	359.47	4	↓ MOL2 SDF SMILES Flexibase

11817199

Analogs

11879324
11879325
11817198

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-isopropyl-7-[(3-methoxyphenyl)methyl]-6-oxo-3,7-diazaspiro[4.5]decane-3-carboxamide (5R)-N-isopropyl-7-[(3-methoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	-1.65	-20.1	1	6	0	62	359.47	4	↓ MOL2 SDF SMILES Flexibase

11817259

Analogs

11817260
11933665
11933666
12227997
12228001

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(2-fluoro-5-methoxy-phenyl)methyl]-3-(1-methylcyclopropanecarbonyl)-3,7-diazaspiro[4.5]decan (5S)-7-[(2-fluoro-5-methoxy-phen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	1.1	-18.53	0	5	0	50	374.456	4	↓ MOL2 SDF SMILES Flexibase

11817260

Analogs

11933665
11933666
12227997
12228001
12458306

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(2-fluoro-5-methoxy-phenyl)methyl]-3-(1-methylcyclopropanecarbonyl)-3,7-diazaspiro[4.5]decan (5R)-7-[(2-fluoro-5-methoxy-phen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	0.52	-18.6	0	5	0	50	374.456	4	↓ MOL2 SDF SMILES Flexibase

11817487

Analogs

11817488

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-9-(2-methoxyethyl)-2-(2-pyridylmethyl)-2,9-diazaspiro[4.5]decan-10-one (5S)-9-(2-methoxyethyl)-2-(2-pyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.51	-0.36	-33.9	1	5	1	47	304.414	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.51	-0.3	-104.28	2	5	2	48	305.422	5	↓ MOL2 SDF SMILES Flexibase

11817488

Analogs

11817487

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-9-(2-methoxyethyl)-2-(2-pyridylmethyl)-2,9-diazaspiro[4.5]decan-10-one (5R)-9-(2-methoxyethyl)-2-(2-pyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.51	-0.29	-39.41	1	5	1	47	304.414	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.51	-0.16	-103.39	2	5	2	48	305.422	5	↓ MOL2 SDF SMILES Flexibase

11817502

Analogs

11817503
12713524
12713527

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-(cyclobutylmethyl)-3-[[5-(hydroxymethyl)-2-furyl]methyl]-3,7-diazaspiro[4.5]decan-6-one (5S)-7-(cyclobutylmethyl)-3-[[5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.58	-1.58	-36.42	2	5	1	58	333.452	5	↓ MOL2 SDF SMILES Flexibase

11817503

Analogs

12713524
12713527
11817502

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-(cyclobutylmethyl)-3-[[5-(hydroxymethyl)-2-furyl]methyl]-3,7-diazaspiro[4.5]decan-6-one (5R)-7-(cyclobutylmethyl)-3-[[5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.58	-1.5	-41.99	2	5	1	58	333.452	5	↓ MOL2 SDF SMILES Flexibase

11817670

Analogs

11817671

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-(cyclobutylmethyl)-3-indan-2-yl-3,7-diazaspiro[4.5]decan-6-one (5S)-7-(cyclobutylmethyl)-3-inda…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.13	0.69	-37.94	1	3	1	25	339.503	3	↓ MOL2 SDF SMILES Flexibase

11817671

Analogs

11817670

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-(cyclobutylmethyl)-3-indan-2-yl-3,7-diazaspiro[4.5]decan-6-one (5R)-7-(cyclobutylmethyl)-3-inda…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.13	0.62	-39.41	1	3	1	25	339.503	3	↓ MOL2 SDF SMILES Flexibase

11817786

Analogs

11817787

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Popular Name: (5S)-7-[(3,4-difluorophenyl)methyl]-3-(furan-2-carbonyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(3,4-difluorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	2.26	-18.3	0	5	0	54	374.387	3	↓ MOL2 SDF SMILES Flexibase

11817787

Analogs

11817786

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(3,4-difluorophenyl)methyl]-3-(furan-2-carbonyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(3,4-difluorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	1.94	-15.65	0	5	0	54	374.387	3	↓ MOL2 SDF SMILES Flexibase

11818062

Analogs

11818063
12582110
12582116
12594851
12594852

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(4-fluorophenyl)methyl]-3-isopentyl-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(4-fluorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	2.33	-38.22	1	3	1	25	333.471	5	↓ MOL2 SDF SMILES Flexibase

11818063

Analogs

12582110
12582116
12594851
12594852
12703406

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(4-fluorophenyl)methyl]-3-isopentyl-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(4-fluorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	2.32	-39.84	1	3	1	25	333.471	5	↓ MOL2 SDF SMILES Flexibase

11818385

Analogs

11818386

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-(2,3-dihydrobenzofuran-5-ylmethyl)-9-(3-pyridylmethyl)-2,9-diazaspiro[4.5]decan-10-one (5S)-2-(2,3-dihydrobenzofuran-5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.89	-0.26	-43.65	1	5	1	47	378.496	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.89	-0.15	-88.28	2	5	2	48	379.504	4	↓ MOL2 SDF SMILES Flexibase

11818386

Analogs

11818385

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-(2,3-dihydrobenzofuran-5-ylmethyl)-9-(3-pyridylmethyl)-2,9-diazaspiro[4.5]decan-10-one (5R)-2-(2,3-dihydrobenzofuran-5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.89	-0.29	-48.05	1	5	1	47	378.496	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.89	-0.17	-89.37	2	5	2	48	379.504	4	↓ MOL2 SDF SMILES Flexibase

11818736

Analogs

11818737
15069012
15069014
39380948
39380949

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-(cyclohexylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]-3,7-diazaspiro[4.5]decan-6-one (5S)-7-(cyclohexylmethyl)-3-[(1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	0.77	-46.48	1	5	1	43	345.511	4	↓ MOL2 SDF SMILES Flexibase

11818737

Analogs

15069012
15069014
39380948
39380949
11818736

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-(cyclohexylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]-3,7-diazaspiro[4.5]decan-6-one (5R)-7-(cyclohexylmethyl)-3-[(1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	1.04	-44.14	1	5	1	43	345.511	4	↓ MOL2 SDF SMILES Flexibase

11820453

Analogs

11820454
39677254
39677255
39681167
39681168

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(3-methylthiophene-2-carbonyl)-7-(3-pyridylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-3-(3-methylthiophene-2-carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.77	-0.81	-17.95	0	5	0	54	369.49	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.77	-0.7	-44.69	1	5	1	55	370.498	3	↓ MOL2 SDF SMILES Flexibase

11820454

Analogs

39677254
39677255
39681167
39681168
39681169

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(3-methylthiophene-2-carbonyl)-7-(3-pyridylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-3-(3-methylthiophene-2-carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.77	-1.19	-13.59	0	5	0	54	369.49	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.77	-1.07	-45.53	1	5	1	55	370.498	3	↓ MOL2 SDF SMILES Flexibase

11820486

Analogs

11820487

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-9-(3-phenylpropyl)-2-[2-(2-pyridyl)acetyl]-2,9-diazaspiro[4.5]decan-10-one (5S)-9-(3-phenylpropyl)-2-[2-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	0	-22.5	0	5	0	54	391.515	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.58	0.09	-34.19	1	5	1	55	392.523	6	↓ MOL2 SDF SMILES Flexibase

11820487

Analogs

11820486

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-9-(3-phenylpropyl)-2-[2-(2-pyridyl)acetyl]-2,9-diazaspiro[4.5]decan-10-one (5R)-9-(3-phenylpropyl)-2-[2-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	-0.35	-18.27	0	5	0	54	391.515	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.58	-0.26	-36.19	1	5	1	55	392.523	6	↓ MOL2 SDF SMILES Flexibase

11820542

Analogs

11820543

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(3,4-difluorophenyl)methyl]-3-[(6-methyl-2-pyridyl)methyl]-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(3,4-difluorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.23	2.26	-36.9	1	4	1	38	386.466	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.23	2.32	-104.48	2	4	2	39	387.474	4	↓ MOL2 SDF SMILES Flexibase

11820543

Analogs

11820542

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(3,4-difluorophenyl)methyl]-3-[(6-methyl-2-pyridyl)methyl]-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(3,4-difluorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.23	1.96	-41.21	1	4	1	38	386.466	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.23	1.99	-109.25	2	4	2	39	387.474	4	↓ MOL2 SDF SMILES Flexibase

11821082

Analogs

11821083

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(5-methylthiophene-2-carbonyl)-7-(3-pyridylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-3-(5-methylthiophene-2-carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	-1.4	-17.08	0	5	0	54	369.49	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.62	-1.29	-45.42	1	5	1	55	370.498	3	↓ MOL2 SDF SMILES Flexibase

11821083

Analogs

11821082

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(5-methylthiophene-2-carbonyl)-7-(3-pyridylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-3-(5-methylthiophene-2-carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	-1.41	-14.15	0	5	0	54	369.49	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.62	-1.29	-46.44	1	5	1	55	370.498	3	↓ MOL2 SDF SMILES Flexibase

11821204

Analogs

11821205

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-(2,2-dimethylpropyl)-3-[(6-methyl-2-pyridyl)methyl]-3,7-diazaspiro[4.5]decan-6-one (5S)-7-(2,2-dimethylpropyl)-3-[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	0.95	-33.26	1	4	1	38	330.496	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.28	0.97	-100.55	2	4	2	39	331.504	4	↓ MOL2 SDF SMILES Flexibase

11821205

Analogs

11821204

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-(2,2-dimethylpropyl)-3-[(6-methyl-2-pyridyl)methyl]-3,7-diazaspiro[4.5]decan-6-one (5R)-7-(2,2-dimethylpropyl)-3-[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	0.99	-38.29	1	4	1	38	330.496	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.28	1	-102.66	2	4	2	39	331.504	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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