ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

52930267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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)	3.16	7.2	-7.61	1	5	0	59	310.438	4	↓ MOL2 SDF SMILES Flexibase

52930270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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)	3.16	7.2	-7.58	1	5	0	59	310.438	4	↓ MOL2 SDF SMILES Flexibase

36978725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-1-carbamoylpiperidine-3-carbonyl]amino]cyclohexanecarboxylic 1-[[(3R)-1-carbamoylpiperidine-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)	-1.26	4.34	-61.7	3	7	-1	116	296.347	3	↓ MOL2 SDF SMILES Flexibase

36978727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]cyclohexanecarboxylic 1-[[(3S)-1-carbamoylpiperidine-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)	-1.26	4.35	-62.27	3	7	-1	116	296.347	3	↓ MOL2 SDF SMILES Flexibase

52539321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]piperidine-1,3-dicarboxamide (3R)-N3-[(1S,2R,3R)-2,3-dimethyl…

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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	3.71	-10.31	3	5	0	75	281.4	2	↓ MOL2 SDF SMILES Flexibase

52539322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]piperidine-1,3-dicarboxamide (3R)-N3-[(1S,2R,3S)-2,3-dimethyl…

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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	4.53	-9.9	3	5	0	75	281.4	2	↓ MOL2 SDF SMILES Flexibase

52539323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N3-[(1R,2R,3R)-2,3-dimethylcyclohexyl]piperidine-1,3-dicarboxamide (3R)-N3-[(1R,2R,3R)-2,3-dimethyl…

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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	3.86	-10.4	3	5	0	75	281.4	2	↓ MOL2 SDF SMILES Flexibase

52539324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-1,3-dicarboxamide (3R)-N3-[(1R,2R,3S)-2,3-dimethyl…

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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	4.1	-10.3	3	5	0	75	281.4	2	↓ MOL2 SDF SMILES Flexibase

62851627

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-3-ethyl-piperidine-3-carboxamide (3S)-N-cyclohexyl-3-ethyl-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)	2.44	5.21	-33.53	3	3	1	46	239.383	3	↓ MOL2 SDF SMILES Flexibase

62851628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-3-ethyl-piperidine-3-carboxamide (3R)-N-cyclohexyl-3-ethyl-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)	2.44	5.25	-33.43	3	3	1	46	239.383	3	↓ MOL2 SDF SMILES Flexibase

62851629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-3-methyl-piperidine-3-carboxamide (3S)-N-cyclohexyl-3-methyl-piper…

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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	4.81	-32.48	3	3	1	46	225.356	2	↓ MOL2 SDF SMILES Flexibase

62851630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-3-methyl-piperidine-3-carboxamide (3R)-N-cyclohexyl-3-methyl-piper…

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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	4.81	-32.49	3	3	1	46	225.356	2	↓ MOL2 SDF SMILES Flexibase

62851631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-3-propyl-piperidine-3-carboxamide (3S)-N-cyclohexyl-3-propyl-piper…

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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)	3.00	5.97	-33.85	3	3	1	46	253.41	4	↓ MOL2 SDF SMILES Flexibase

62851632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-3-propyl-piperidine-3-carboxamide (3R)-N-cyclohexyl-3-propyl-piper…

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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)	3.00	6.01	-33.86	3	3	1	46	253.41	4	↓ MOL2 SDF SMILES Flexibase

62851838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide (3S)-3-ethyl-N-(4-hydroxycyclohe…

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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)	0.82	1.87	-36.35	4	4	1	66	255.382	3	↓ MOL2 SDF SMILES Flexibase

62851839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide (3R)-3-ethyl-N-(4-hydroxycyclohe…

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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)	0.82	1.91	-36.41	4	4	1	66	255.382	3	↓ MOL2 SDF SMILES Flexibase

62851840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(4-hydroxycyclohexyl)-3-methyl-piperidine-3-carboxamide (3S)-N-(4-hydroxycyclohexyl)-3-m…

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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	1.47	-35.36	4	4	1	66	241.355	2	↓ MOL2 SDF SMILES Flexibase

62851841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-hydroxycyclohexyl)-3-methyl-piperidine-3-carboxamide (3R)-N-(4-hydroxycyclohexyl)-3-m…

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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	1.47	-35.35	4	4	1	66	241.355	2	↓ MOL2 SDF SMILES Flexibase

62851842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(4-hydroxycyclohexyl)-3-propyl-piperidine-3-carboxamide (3S)-N-(4-hydroxycyclohexyl)-3-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)	1.38	2.63	-36.82	4	4	1	66	269.409	4	↓ MOL2 SDF SMILES Flexibase

62851843

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-hydroxycyclohexyl)-3-propyl-piperidine-3-carboxamide (3R)-N-(4-hydroxycyclohexyl)-3-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)	1.38	3.08	-34.76	4	4	1	66	269.409	4	↓ MOL2 SDF SMILES Flexibase

62852382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-3-ethyl-N-methyl-piperidine-3-carboxamide (3S)-N-cyclohexyl-3-ethyl-N-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)	2.36	6.39	-45.02	2	3	1	37	253.41	3	↓ MOL2 SDF SMILES Flexibase

62852383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-3-ethyl-N-methyl-piperidine-3-carboxamide (3R)-N-cyclohexyl-3-ethyl-N-meth…

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Activity (Go SEA)

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	6.51	-41.88	2	3	1	37	253.41	3	↓ MOL2 SDF SMILES Flexibase

62852384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-cyclohexyl-N,3-dimethyl-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)	2.02	5.83	-33.34	2	3	1	37	239.383	2	↓ MOL2 SDF SMILES Flexibase

62852385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-cyclohexyl-N,3-dimethyl-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)	2.02	5.9	-33.28	2	3	1	37	239.383	2	↓ MOL2 SDF SMILES Flexibase

62852386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-N-methyl-3-propyl-piperidine-3-carboxamide (3S)-N-cyclohexyl-N-methyl-3-pro…

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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)	2.91	7.14	-45.3	2	3	1	37	267.437	4	↓ MOL2 SDF SMILES Flexibase

62852387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-N-methyl-3-propyl-piperidine-3-carboxamide (3R)-N-cyclohexyl-N-methyl-3-pro…

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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)	2.91	7.28	-42.18	2	3	1	37	267.437	4	↓ MOL2 SDF SMILES Flexibase

62852406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-ethyl-piperidine-3-carboxamide (3S)-N-[(1R,2S,3S)-2,3-dimethylc…

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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)	2.92	6.14	-33.43	3	3	1	46	267.437	3	↓ MOL2 SDF SMILES Flexibase

62852407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-ethyl-piperidine-3-carboxamide (3R)-N-[(1R,2S,3S)-2,3-dimethylc…

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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)	2.92	6.18	-33.6	3	3	1	46	267.437	3	↓ MOL2 SDF SMILES Flexibase

62852408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-3-ethyl-piperidine-3-carboxamide (3S)-N-[(1S,2S,3S)-2,3-dimethylc…

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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)	2.92	6.31	-33.4	3	3	1	46	267.437	3	↓ MOL2 SDF SMILES Flexibase

62852409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-3-ethyl-piperidine-3-carboxamide (3R)-N-[(1S,2S,3S)-2,3-dimethylc…

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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)	2.92	6.35	-33.54	3	3	1	46	267.437	3	↓ MOL2 SDF SMILES Flexibase

62852410

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	5.75	-32.47	3	3	1	46	253.41	2	↓ MOL2 SDF SMILES Flexibase

62852411

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	6.55	-32.45	3	3	1	46	253.41	2	↓ MOL2 SDF SMILES Flexibase

62852412

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	5.92	-32.42	3	3	1	46	253.41	2	↓ MOL2 SDF SMILES Flexibase

62852413

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	6.14	-32.47	3	3	1	46	253.41	2	↓ MOL2 SDF SMILES Flexibase

62852414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-propyl-piperidine-3-carboxamide (3S)-N-[(1R,2S,3S)-2,3-dimethylc…

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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)	3.48	6.9	-33.81	3	3	1	46	281.464	4	↓ MOL2 SDF SMILES Flexibase

62852415

Analogs

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Popular Name: (3R)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-propyl-piperidine-3-carboxamide (3R)-N-[(1R,2S,3S)-2,3-dimethylc…

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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)	3.48	6.95	-34.03	3	3	1	46	281.464	4	↓ MOL2 SDF SMILES Flexibase

62852416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-3-propyl-piperidine-3-carboxamide (3S)-N-[(1S,2S,3S)-2,3-dimethylc…

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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)	3.48	7.08	-33.72	3	3	1	46	281.464	4	↓ MOL2 SDF SMILES Flexibase

62852417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-3-propyl-piperidine-3-carboxamide (3R)-N-[(1S,2S,3S)-2,3-dimethylc…

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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)	3.48	7.1	-33.9	3	3	1	46	281.464	4	↓ MOL2 SDF SMILES Flexibase

62852424

Analogs

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Popular Name: (3S)-N-cyclohexyl-N,3-diethyl-piperidine-3-carboxamide (3S)-N-cyclohexyl-N,3-diethyl-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)	2.73	7.29	-42.88	2	3	1	37	267.437	4	↓ MOL2 SDF SMILES Flexibase

62852425

Analogs

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Popular Name: (3R)-N-cyclohexyl-N,3-diethyl-piperidine-3-carboxamide (3R)-N-cyclohexyl-N,3-diethyl-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)	2.73	6.85	-42.46	2	3	1	37	267.437	4	↓ MOL2 SDF SMILES Flexibase

62852426

Analogs

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Popular Name: (3R)-N-cyclohexyl-N-ethyl-3-methyl-piperidine-3-carboxamide (3R)-N-cyclohexyl-N-ethyl-3-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)	2.40	6.67	-33.16	2	3	1	37	253.41	3	↓ MOL2 SDF SMILES Flexibase

62852427

Analogs

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Popular Name: (3S)-N-cyclohexyl-N-ethyl-3-methyl-piperidine-3-carboxamide (3S)-N-cyclohexyl-N-ethyl-3-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)	2.40	6.72	-32.91	2	3	1	37	253.41	3	↓ MOL2 SDF SMILES Flexibase

62852428

Analogs

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Popular Name: (3S)-N-cyclohexyl-N-ethyl-3-propyl-piperidine-3-carboxamide (3S)-N-cyclohexyl-N-ethyl-3-prop…

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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)	3.29	8.06	-42.56	2	3	1	37	281.464	5	↓ MOL2 SDF SMILES Flexibase

62852429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-N-ethyl-3-propyl-piperidine-3-carboxamide (3R)-N-cyclohexyl-N-ethyl-3-prop…

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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)	3.29	7.5	-42.65	2	3	1	37	281.464	5	↓ MOL2 SDF SMILES Flexibase

62852514

Analogs

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Popular Name: (3S)-3-ethyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(1R,2S)-2-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)	2.68	6.47	-33.41	3	3	1	46	253.41	3	↓ MOL2 SDF SMILES Flexibase

62852515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(1R,2S)-2-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)	2.68	6.5	-33.31	3	3	1	46	253.41	3	↓ MOL2 SDF SMILES Flexibase

62852516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(1S,2S)-2-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)	2.68	6.06	-33.5	3	3	1	46	253.41	3	↓ MOL2 SDF SMILES Flexibase

62852517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(1S,2S)-2-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)	2.68	6.1	-33.41	3	3	1	46	253.41	3	↓ MOL2 SDF SMILES Flexibase

62852518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-3-carboxamide (3R)-3-methyl-N-[(1S,2R)-2-methy…

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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	6.08	-32.37	3	3	1	46	239.383	2	↓ MOL2 SDF SMILES Flexibase

62852519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-3-carboxamide (3R)-3-methyl-N-[(1S,2S)-2-methy…

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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	5.67	-32.52	3	3	1	46	239.383	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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