ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

22764146

Analogs

25513444
25513447
25513450
25513452

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methylsulfonyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide 1-methylsulfonyl-N-[(1R,2S)-2-(t…

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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)	2.29	4.86	-17.46	1	5	0	66	356.41	4	↓ MOL2 SDF SMILES Flexibase

22764149

Analogs

25513444
25513447
25513450
25513452

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide 1-methylsulfonyl-N-[(1S,2S)-2-(t…

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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)	2.29	4.42	-19.26	1	5	0	66	356.41	4	↓ MOL2 SDF SMILES Flexibase

22764153

Analogs

25513444
25513447
25513450
25513452

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methylsulfonyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide 1-methylsulfonyl-N-[(1R,2R)-2-(t…

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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)	2.29	4.43	-18	1	5	0	66	356.41	4	↓ MOL2 SDF SMILES Flexibase

22764156

Analogs

25513444
25513447
25513450
25513452

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methylsulfonyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide 1-methylsulfonyl-N-[(1S,2R)-2-(t…

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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)	2.29	4.82	-14.25	1	5	0	66	356.41	4	↓ MOL2 SDF SMILES Flexibase

36969210

Analogs

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Popular Name: 1-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexanecarboxylic 1-[(1-acetylpiperidine-4-carbony…

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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)	-1.17	6.9	-66.17	1	6	-1	90	295.359	3	↓ MOL2 SDF SMILES Flexibase

60580409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-1-methyl-piperidine-4-carboxamide N-cyclohexyl-1-methyl-piperidine…

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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)	2.13	6.38	-40.63	2	3	1	34	225.356	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.13	3.99	-7.25	1	3	0	32	224.348	2	↓ MOL2 SDF SMILES Flexibase

62839427

Analogs

15442038

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-4-methyl-piperidine-4-carboxamide N-cyclohexyl-4-methyl-piperidine…

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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)	2.11	4.57	-39.36	3	3	1	46	225.356	2	↓ MOL2 SDF SMILES Flexibase

62839461

Analogs

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Popular Name: N-(4-hydroxycyclohexyl)-4-methyl-piperidine-4-carboxamide N-(4-hydroxycyclohexyl)-4-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)	0.49	1.23	-42.47	4	4	1	66	241.355	2	↓ MOL2 SDF SMILES Flexibase

62839570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N,4-dimethyl-piperidine-4-carboxamide N-cyclohexyl-N,4-dimethyl-piperi…

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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)	2.02	5.67	-40.54	2	3	1	37	239.383	2	↓ MOL2 SDF SMILES Flexibase

62839574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1S,2R,3R)-2,3-dimethylcycloh…

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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)	2.59	5.5	-39.27	3	3	1	46	253.41	2	↓ MOL2 SDF SMILES Flexibase

62839575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1S,2R,3S)-2,3-dimethylcycloh…

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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)	2.59	6.3	-39.45	3	3	1	46	253.41	2	↓ MOL2 SDF SMILES Flexibase

62839576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1R,2R,3R)-2,3-dimethylcycloh…

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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)	2.59	5.67	-39.2	3	3	1	46	253.41	2	↓ MOL2 SDF SMILES Flexibase

62839577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1R,2R,3S)-2,3-dimethylcycloh…

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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)	2.59	5.9	-39.4	3	3	1	46	253.41	2	↓ MOL2 SDF SMILES Flexibase

62839579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-ethyl-4-methyl-piperidine-4-carboxamide N-cyclohexyl-N-ethyl-4-methyl-pi…

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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)	2.40	6.45	-40.67	2	3	1	37	253.41	3	↓ MOL2 SDF SMILES Flexibase

62839594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1S,2R)-2-methylcycl…

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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	5.83	-39.4	3	3	1	46	239.383	2	↓ MOL2 SDF SMILES Flexibase

62839595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1S,2S)-2-methylcycl…

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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	5.43	-39.37	3	3	1	46	239.383	2	↓ MOL2 SDF SMILES Flexibase

62839596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1R,2R)-2-methylcycl…

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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	5.43	-39.44	3	3	1	46	239.383	2	↓ MOL2 SDF SMILES Flexibase

62839597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1R,2S)-2-methylcycl…

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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	5.83	-39.37	3	3	1	46	239.383	2	↓ MOL2 SDF SMILES Flexibase

62839636

Analogs

42581816

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-(4-methylcyclohexyl)piperidine-4-carboxamide 4-methyl-N-(4-methylcyclohexyl)p…

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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)	1.88	5.18	-39.45	3	3	1	46	239.383	2	↓ MOL2 SDF SMILES Flexibase

62839775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1S,3R)-3-methylcycl…

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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)	2.11	5.18	-39.3	3	3	1	46	239.383	2	↓ MOL2 SDF SMILES Flexibase

62839776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S,3S)-3-methylcyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1S,3S)-3-methylcycl…

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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)	2.11	5.6	-39.26	3	3	1	46	239.383	2	↓ MOL2 SDF SMILES Flexibase

62839777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R,3R)-3-methylcyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1R,3R)-3-methylcycl…

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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)	2.11	5.6	-39.37	3	3	1	46	239.383	2	↓ MOL2 SDF SMILES Flexibase

62839778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R,3S)-3-methylcyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1R,3S)-3-methylcycl…

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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)	2.11	5.18	-39.39	3	3	1	46	239.383	2	↓ MOL2 SDF SMILES Flexibase

62839965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1R,3S)-3-hydroxycyclohexyl]-…

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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)	0.72	1.23	-40.87	4	4	1	66	241.355	2	↓ MOL2 SDF SMILES Flexibase

62839966

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3S)-3-hydroxycyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1S,3S)-3-hydroxycyclohexyl]-…

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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)	0.72	1.37	-42.01	4	4	1	66	241.355	2	↓ MOL2 SDF SMILES Flexibase

62839967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3R)-3-hydroxycyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1R,3R)-3-hydroxycyclohexyl]-…

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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)	0.72	1.65	-42.55	4	4	1	66	241.355	2	↓ MOL2 SDF SMILES Flexibase

62839968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3R)-3-hydroxycyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1S,3R)-3-hydroxycyclohexyl]-…

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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)	0.72	1.23	-40.25	4	4	1	66	241.355	2	↓ MOL2 SDF SMILES Flexibase

62840002

Analogs

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Popular Name: N-(4-carbamoylcyclohexyl)-4-methyl-piperidine-4-carboxamide N-(4-carbamoylcyclohexyl)-4-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)	0.23	1.24	-48.06	5	5	1	89	268.381	3	↓ MOL2 SDF SMILES Flexibase

62840004

Analogs

42581816

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(1,1-dimethylpropyl)cyclohexyl]-4-methyl-piperidine-4-carboxamide N-[4-(1,1-dimethylpropyl)cyclohe…

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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)	3.54	7.05	-39.27	3	3	1	46	295.491	4	↓ MOL2 SDF SMILES Flexibase

62840014

Analogs

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Popular Name: N-[(1R,2R)-2-tert-butylcyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1R,2R)-2-tert-butylcyclohexy…

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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)	3.67	7.77	-39.59	3	3	1	46	281.464	3	↓ MOL2 SDF SMILES Flexibase

62840015

Analogs

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Popular Name: N-[(1S,2R)-2-tert-butylcyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1S,2R)-2-tert-butylcyclohexy…

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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)	3.67	7.37	-39.31	3	3	1	46	281.464	3	↓ MOL2 SDF SMILES Flexibase

62840016

Analogs

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Popular Name: N-[(1R,2S)-2-tert-butylcyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1R,2S)-2-tert-butylcyclohexy…

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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)	3.67	7.24	-39.57	3	3	1	46	281.464	3	↓ MOL2 SDF SMILES Flexibase

62840017

Analogs

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Popular Name: N-[(1S,2S)-2-tert-butylcyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1S,2S)-2-tert-butylcyclohexy…

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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)	3.67	7.62	-39.83	3	3	1	46	281.464	3	↓ MOL2 SDF SMILES Flexibase

62840170

Analogs

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Popular Name: N-[(1S,2R)-2-ethylcyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1S,2R)-2-ethylcyclohexyl]-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)	2.85	6.45	-39.52	3	3	1	46	253.41	3	↓ MOL2 SDF SMILES Flexibase

62840171

Analogs

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Popular Name: N-[(1S,2S)-2-ethylcyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1S,2S)-2-ethylcyclohexyl]-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)	2.85	6.09	-39.49	3	3	1	46	253.41	3	↓ MOL2 SDF SMILES Flexibase

62840172

Analogs

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Popular Name: N-[(1R,2R)-2-ethylcyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1R,2R)-2-ethylcyclohexyl]-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)	2.85	6.09	-39.33	3	3	1	46	253.41	3	↓ MOL2 SDF SMILES Flexibase

62840173

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-ethylcyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1R,2S)-2-ethylcyclohexyl]-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)	2.85	6.45	-39.43	3	3	1	46	253.41	3	↓ MOL2 SDF SMILES Flexibase

62840174

Analogs

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Popular Name: N-[(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1R,2R,5R)-2-isopropyl-5-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)	3.86	7.56	-39.73	3	3	1	46	281.464	3	↓ MOL2 SDF SMILES Flexibase

62840175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1R,2R,5S)-2-isopropyl-5-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)	3.86	7.51	-39.42	3	3	1	46	281.464	3	↓ MOL2 SDF SMILES Flexibase

62840176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1R,2S,5R)-2-isopropyl-5-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)	3.86	7.05	-39.19	3	3	1	46	281.464	3	↓ MOL2 SDF SMILES Flexibase

62840177

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl]-4-methyl-piperidine-4-carboxamide N-[(1R,2S,5S)-2-isopropyl-5-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)	3.86	6.82	-38.98	3	3	1	46	281.464	3	↓ MOL2 SDF SMILES Flexibase

62840292

Analogs

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Popular Name: 4-methyl-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1R,3S)-3-(trifluoro…

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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)	2.66	5.5	-41.29	3	3	1	46	293.353	3	↓ MOL2 SDF SMILES Flexibase

62840293

Analogs

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Popular Name: 4-methyl-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1S,3S)-3-(trifluoro…

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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)	2.66	5.9	-42.62	3	3	1	46	293.353	3	↓ MOL2 SDF SMILES Flexibase

62840294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1R,3R)-3-(trifluoro…

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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)	2.66	5.9	-42.62	3	3	1	46	293.353	3	↓ MOL2 SDF SMILES Flexibase

62840295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1S,3R)-3-(trifluoro…

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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)	2.66	5.5	-40.76	3	3	1	46	293.353	3	↓ MOL2 SDF SMILES Flexibase

62840317

Analogs

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Popular Name: 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide 4-methyl-N-[4-(trifluoromethyl)c…

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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)	2.43	5.49	-42.75	3	3	1	46	293.353	3	↓ MOL2 SDF SMILES Flexibase

62840319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1R,2S)-2-(trifluoro…

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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)	2.90	6.43	-37.62	3	3	1	46	293.353	3	↓ MOL2 SDF SMILES Flexibase

62840320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1S,2S)-2-(trifluoro…

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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)	2.90	6.01	-37.91	3	3	1	46	293.353	3	↓ MOL2 SDF SMILES Flexibase

62840321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1R,2R)-2-(trifluoro…

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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)	2.90	6.01	-41.74	3	3	1	46	293.353	3	↓ MOL2 SDF SMILES Flexibase

62840322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide 4-methyl-N-[(1S,2R)-2-(trifluoro…

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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)	2.90	6.45	-41.51	3	3	1	46	293.353	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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Embed Link to Results

<div id="zinc-link"></div>
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