ZINC 12

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ZINC Item

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68881727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-cyanobutylsulfonyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide (3S)-1-(4-cyanobutylsulfonyl)-N-…

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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)	0.70	4.81	-21.71	1	6	0	90	327.45	8	↓ MOL2 SDF SMILES Flexibase

68881730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-cyanobutylsulfonyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide (3R)-1-(4-cyanobutylsulfonyl)-N-…

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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)	0.70	4.84	-18.3	1	6	0	90	327.45	8	↓ MOL2 SDF SMILES Flexibase

62851832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(cyclopropylmethyl)-3-ethyl-piperidine-3-carboxamide (3S)-N-(cyclopropylmethyl)-3-eth…

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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)	1.40	4.06	-33.79	3	3	1	46	211.329	4	↓ MOL2 SDF SMILES Flexibase

62851833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(cyclopropylmethyl)-3-ethyl-piperidine-3-carboxamide (3R)-N-(cyclopropylmethyl)-3-eth…

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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)	1.40	4.11	-33.81	3	3	1	46	211.329	4	↓ MOL2 SDF SMILES Flexibase

62851834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(cyclopropylmethyl)-3-methyl-piperidine-3-carboxamide (3S)-N-(cyclopropylmethyl)-3-met…

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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)	1.07	3.67	-32.74	3	3	1	46	197.302	3	↓ MOL2 SDF SMILES Flexibase

62851835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(cyclopropylmethyl)-3-methyl-piperidine-3-carboxamide (3R)-N-(cyclopropylmethyl)-3-met…

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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)	1.07	3.67	-32.76	3	3	1	46	197.302	3	↓ MOL2 SDF SMILES Flexibase

62851836

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.96	4.83	-34.08	3	3	1	46	225.356	5	↓ MOL2 SDF SMILES Flexibase

62851837

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.96	4.86	-34.2	3	3	1	46	225.356	5	↓ MOL2 SDF SMILES Flexibase

62853806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-cyclopropylethyl]-3-ethyl-piperidine-3-carboxamide (3S)-N-[(1S)-1-cyclopropylethyl]…

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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)	1.74	4.67	-33.47	3	3	1	46	225.356	4	↓ MOL2 SDF SMILES Flexibase

62853807

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-cyclopropylethyl]-3-ethyl-piperidine-3-carboxamide (3R)-N-[(1S)-1-cyclopropylethyl]…

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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)	1.74	4.82	-33.33	3	3	1	46	225.356	4	↓ MOL2 SDF SMILES Flexibase

62853808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-cyclopropylethyl]-3-ethyl-piperidine-3-carboxamide (3S)-N-[(1R)-1-cyclopropylethyl]…

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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)	1.74	4.79	-33.43	3	3	1	46	225.356	4	↓ MOL2 SDF SMILES Flexibase

62853809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-cyclopropylethyl]-3-ethyl-piperidine-3-carboxamide (3R)-N-[(1R)-1-cyclopropylethyl]…

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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)	1.74	4.82	-33.63	3	3	1	46	225.356	4	↓ MOL2 SDF SMILES Flexibase

62853810

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.40	4.28	-32.48	3	3	1	46	211.329	3	↓ MOL2 SDF SMILES Flexibase

62853811

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.40	4.4	-32.5	3	3	1	46	211.329	3	↓ MOL2 SDF SMILES Flexibase

62853812

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.40	4.28	-32.42	3	3	1	46	211.329	3	↓ MOL2 SDF SMILES Flexibase

62853813

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.40	4.4	-32.45	3	3	1	46	211.329	3	↓ MOL2 SDF SMILES Flexibase

62853814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-cyclopropylethyl]-3-propyl-piperidine-3-carboxamide (3S)-N-[(1S)-1-cyclopropylethyl]…

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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)	2.29	5.44	-33.79	3	3	1	46	239.383	5	↓ MOL2 SDF SMILES Flexibase

62853815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-cyclopropylethyl]-3-propyl-piperidine-3-carboxamide (3R)-N-[(1S)-1-cyclopropylethyl]…

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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)	2.29	5.47	-33.76	3	3	1	46	239.383	5	↓ MOL2 SDF SMILES Flexibase

62853816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-cyclopropylethyl]-3-propyl-piperidine-3-carboxamide (3S)-N-[(1R)-1-cyclopropylethyl]…

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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)	2.29	5.55	-33.76	3	3	1	46	239.383	5	↓ MOL2 SDF SMILES Flexibase

62853817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-cyclopropylethyl]-3-propyl-piperidine-3-carboxamide (3R)-N-[(1R)-1-cyclopropylethyl]…

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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)	2.29	5.59	-34.06	3	3	1	46	239.383	5	↓ MOL2 SDF SMILES Flexibase

62854000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-cyclopropylethyl]-3-ethyl-N-methyl-piperidine-3-carboxamide (3S)-N-[(1S)-1-cyclopropylethyl]…

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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)	1.65	5.89	-44.46	2	3	1	37	239.383	4	↓ MOL2 SDF SMILES Flexibase

62854001

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-cyclopropylethyl]-3-ethyl-N-methyl-piperidine-3-carboxamide (3R)-N-[(1S)-1-cyclopropylethyl]…

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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)	1.65	6.07	-41.93	2	3	1	37	239.383	4	↓ MOL2 SDF SMILES Flexibase

62854002

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-cyclopropylethyl]-3-ethyl-N-methyl-piperidine-3-carboxamide (3S)-N-[(1R)-1-cyclopropylethyl]…

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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)	1.65	5.95	-44.87	2	3	1	37	239.383	4	↓ MOL2 SDF SMILES Flexibase

62854003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-cyclopropylethyl]-3-ethyl-N-methyl-piperidine-3-carboxamide (3R)-N-[(1R)-1-cyclopropylethyl]…

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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)	1.65	6.08	-41.45	2	3	1	37	239.383	4	↓ MOL2 SDF SMILES Flexibase

62854004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-cyclopropylethyl]-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-[(1S)-1-cyclopropylethyl]…

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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)	1.31	5.39	-32.95	2	3	1	37	225.356	3	↓ MOL2 SDF SMILES Flexibase

62854005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-cyclopropylethyl]-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-[(1R)-1-cyclopropylethyl]…

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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)	1.31	5.3	-33.32	2	3	1	37	225.356	3	↓ MOL2 SDF SMILES Flexibase

62854006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-cyclopropylethyl]-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-[(1S)-1-cyclopropylethyl]…

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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)	1.31	5.39	-33.13	2	3	1	37	225.356	3	↓ MOL2 SDF SMILES Flexibase

62854007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-cyclopropylethyl]-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-[(1R)-1-cyclopropylethyl]…

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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)	1.31	5.34	-33.43	2	3	1	37	225.356	3	↓ MOL2 SDF SMILES Flexibase

62854008

Analogs

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Popular Name: (3S)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3-propyl-piperidine-3-carboxamide (3S)-N-[(1S)-1-cyclopropylethyl]…

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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)	2.21	6.66	-44.69	2	3	1	37	253.41	5	↓ MOL2 SDF SMILES Flexibase

62854009

Analogs

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Popular Name: (3R)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3-propyl-piperidine-3-carboxamide (3R)-N-[(1S)-1-cyclopropylethyl]…

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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)	2.21	6.78	-41.96	2	3	1	37	253.41	5	↓ MOL2 SDF SMILES Flexibase

62854010

Analogs

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Popular Name: (3S)-N-[(1R)-1-cyclopropylethyl]-N-methyl-3-propyl-piperidine-3-carboxamide (3S)-N-[(1R)-1-cyclopropylethyl]…

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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)	2.21	6.72	-45.11	2	3	1	37	253.41	5	↓ MOL2 SDF SMILES Flexibase

62854011

Analogs

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Popular Name: (3R)-N-[(1R)-1-cyclopropylethyl]-N-methyl-3-propyl-piperidine-3-carboxamide (3R)-N-[(1R)-1-cyclopropylethyl]…

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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)	2.21	6.81	-41.74	2	3	1	37	253.41	5	↓ MOL2 SDF SMILES Flexibase

62854302

Analogs

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Popular Name: (3R)-N-(cyclopropylmethyl)-3-ethyl-N-propyl-piperidine-3-carboxamide (3R)-N-(cyclopropylmethyl)-3-eth…

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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)	2.20	7.42	-41.67	2	3	1	37	253.41	6	↓ MOL2 SDF SMILES Flexibase

62854303

Analogs

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Popular Name: (3S)-N-(cyclopropylmethyl)-3-ethyl-N-propyl-piperidine-3-carboxamide (3S)-N-(cyclopropylmethyl)-3-eth…

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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)	2.20	7.05	-42.03	2	3	1	37	253.41	6	↓ MOL2 SDF SMILES Flexibase

62854304

Analogs

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Popular Name: (3R)-N-(cyclopropylmethyl)-3-methyl-N-propyl-piperidine-3-carboxamide (3R)-N-(cyclopropylmethyl)-3-met…

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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)	1.86	6.78	-32.73	2	3	1	37	239.383	5	↓ MOL2 SDF SMILES Flexibase

62854305

Analogs

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Popular Name: (3S)-N-(cyclopropylmethyl)-3-methyl-N-propyl-piperidine-3-carboxamide (3S)-N-(cyclopropylmethyl)-3-met…

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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)	1.86	6.6	-33.51	2	3	1	37	239.383	5	↓ MOL2 SDF SMILES Flexibase

62854306

Analogs

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Popular Name: (3S)-N-(cyclopropylmethyl)-N,3-dipropyl-piperidine-3-carboxamide (3S)-N-(cyclopropylmethyl)-N,3-d…

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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)	2.76	8.19	-41.67	2	3	1	37	267.437	7	↓ MOL2 SDF SMILES Flexibase

62854307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(cyclopropylmethyl)-N,3-dipropyl-piperidine-3-carboxamide (3R)-N-(cyclopropylmethyl)-N,3-d…

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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)	2.76	7.65	-42.07	2	3	1	37	267.437	7	↓ MOL2 SDF SMILES Flexibase

62856692

Analogs

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

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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	7.1	-38.21	2	3	1	37	307.38	6	↓ MOL2 SDF SMILES Flexibase

62856693

Analogs

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

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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	6.58	-48.4	2	3	1	37	307.38	6	↓ MOL2 SDF SMILES Flexibase

62856694

Analogs

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

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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	6.64	-49.23	2	3	1	37	307.38	6	↓ MOL2 SDF SMILES Flexibase

62856695

Analogs

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Popular Name: (3R)-N-[(1R)-1-cyclopropylethyl]-3-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (3R)-N-[(1R)-1-cyclopropylethyl]…

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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	6.91	-47.14	2	3	1	37	307.38	6	↓ MOL2 SDF SMILES Flexibase

62856696

Analogs

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

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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	6.37	-36.27	2	3	1	37	293.353	5	↓ MOL2 SDF SMILES Flexibase

62856697

Analogs

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

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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	6.48	-35.89	2	3	1	37	293.353	5	↓ MOL2 SDF SMILES Flexibase

62856698

Analogs

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Popular Name: (3S)-N-[(1S)-1-cyclopropylethyl]-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (3S)-N-[(1S)-1-cyclopropylethyl]…

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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	6.51	-36.99	2	3	1	37	293.353	5	↓ MOL2 SDF SMILES Flexibase

62856699

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	6.35	-34.92	2	3	1	37	293.353	5	↓ MOL2 SDF SMILES Flexibase

62857224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-cyclopropylethyl]-3-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-N-[(1S)-1-cyclopropylethyl]…

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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)	1.63	6.06	-34.5	2	4	1	46	283.436	7	↓ MOL2 SDF SMILES Flexibase

62857225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-cyclopropylethyl]-3-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide (3R)-N-[(1S)-1-cyclopropylethyl]…

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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)	1.63	6.3	-36.63	2	4	1	46	283.436	7	↓ MOL2 SDF SMILES Flexibase

62857226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-cyclopropylethyl]-3-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-N-[(1R)-1-cyclopropylethyl]…

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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)	1.63	6.03	-34.39	2	4	1	46	283.436	7	↓ MOL2 SDF SMILES Flexibase

62857227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-cyclopropylethyl]-3-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide (3R)-N-[(1R)-1-cyclopropylethyl]…

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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)	1.63	6.56	-36.53	2	4	1	46	283.436	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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