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ZINC Item

Suppliers, Protomers, & Similar Substances

50906797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-propylpiperidine-1-carbonyl)amino]cyclopentanecarboxylic 1-[(4-propylpiperidine-1-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)	1.68	8.35	-60.88	1	5	-1	72	281.376	4	↓ MOL2 SDF SMILES Flexibase

50906911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-(4-propylpiperidine-1-carbonyl)amino]acetic 2-[cyclopentyl-(4-propylpiperidi…

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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	9.5	-45.73	0	5	-1	64	295.403	5	↓ MOL2 SDF SMILES Flexibase

37093056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopentyl(methyl)carbamoyl]piperidine-4-carboxylic 1-[cyclopentyl(methyl)carbamoyl]…

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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)	1.66	7.3	-50.88	0	5	-1	64	253.322	2	↓ MOL2 SDF SMILES Flexibase

37093057

Analogs

19981299

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopentyl(methyl)carbamoyl]piperidine-3-carboxylic (3S)-1-[cyclopentyl(methyl)carba…

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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)	1.66	7.34	-55.37	0	5	-1	64	253.322	2	↓ MOL2 SDF SMILES Flexibase

37093058

Analogs

19981299

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopentyl(methyl)carbamoyl]piperidine-3-carboxylic (3R)-1-[cyclopentyl(methyl)carba…

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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)	1.66	7.31	-43.41	0	5	-1	64	253.322	2	↓ MOL2 SDF SMILES Flexibase

57988014

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)	2.64	4.32	-13.74	3	8	0	100	382.505	7	↓ MOL2 SDF SMILES Flexibase

57988018

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)	2.64	4.32	-13.86	3	8	0	100	382.505	7	↓ MOL2 SDF SMILES Flexibase

62842698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopentylcarbamoyl)-4-methyl-piperidine-4-carboxylic 1-(cyclopentylcarbamoyl)-4-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)	2.21	6.4	-49.63	1	5	-1	72	253.322	2	↓ MOL2 SDF SMILES Flexibase

62843071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopentyl(methyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclopentyl(methyl)carbamoyl]…

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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)	1.90	7.34	-48.52	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

62843178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopentyl(ethyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclopentyl(ethyl)carbamoyl]-…

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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	8.16	-53.11	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

62843749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopentyl(2-hydroxyethyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclopentyl(2-hydroxyethyl)ca…

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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)	1.27	4.86	-53	1	6	-1	84	297.375	4	↓ MOL2 SDF SMILES Flexibase

62843894

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,2S)-2-methoxycyclopentyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1R,2S)-2-methoxycyclopentyl…

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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)	1.67	5.87	-50.43	1	6	-1	82	283.348	3	↓ MOL2 SDF SMILES Flexibase

62843895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S,2S)-2-methoxycyclopentyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1S,2S)-2-methoxycyclopentyl…

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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)	1.67	5.4	-50.83	1	6	-1	82	283.348	3	↓ MOL2 SDF SMILES Flexibase

62843896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1R,2R)-2-methoxycyclopentyl…

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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)	1.67	5.4	-51.9	1	6	-1	82	283.348	3	↓ MOL2 SDF SMILES Flexibase

62843897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S,2R)-2-methoxycyclopentyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1S,2R)-2-methoxycyclopentyl…

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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)	1.67	5.81	-49.82	1	6	-1	82	283.348	3	↓ MOL2 SDF SMILES Flexibase

62846160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopentylcarbamoyl)-4-propyl-piperidine-4-carboxylic 1-(cyclopentylcarbamoyl)-4-propy…

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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)	3.10	7.61	-49.52	1	5	-1	72	281.376	4	↓ MOL2 SDF SMILES Flexibase

62846161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopentylcarbamoyl)-4-ethyl-piperidine-4-carboxylic 1-(cyclopentylcarbamoyl)-4-ethyl…

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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)	2.54	6.84	-49.12	1	5	-1	72	267.349	3	↓ MOL2 SDF SMILES Flexibase

62846601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopentyl(methyl)carbamoyl]-4-propyl-piperidine-4-carboxylic 1-[cyclopentyl(methyl)carbamoyl]…

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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)	2.79	8.82	-52.99	0	5	-1	64	295.403	4	↓ MOL2 SDF SMILES Flexibase

62846603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopentyl(methyl)carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[cyclopentyl(methyl)carbamoyl]…

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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	7.78	-47.7	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

62846753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopentyl(ethyl)carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[cyclopentyl(ethyl)carbamoyl]-…

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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	8.62	-50.6	0	5	-1	64	295.403	4	↓ MOL2 SDF SMILES Flexibase

62847391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[[(1R,2S)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic 4-ethyl-1-[[(1R,2S)-2-methoxycyc…

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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)	2.01	6.31	-49.07	1	6	-1	82	297.375	4	↓ MOL2 SDF SMILES Flexibase

62847392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[[(1S,2S)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic 4-ethyl-1-[[(1S,2S)-2-methoxycyc…

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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)	2.01	5.89	-50.17	1	6	-1	82	297.375	4	↓ MOL2 SDF SMILES Flexibase

62847393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic 4-ethyl-1-[[(1R,2R)-2-methoxycyc…

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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)	2.01	5.84	-51.16	1	6	-1	82	297.375	4	↓ MOL2 SDF SMILES Flexibase

62847394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[[(1S,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic 4-ethyl-1-[[(1S,2R)-2-methoxycyc…

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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)	2.01	6.27	-49.02	1	6	-1	82	297.375	4	↓ MOL2 SDF SMILES Flexibase

62871909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclopentylcarbamoyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(cyclopentylcarbamoyl)-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)	2.21	6.84	-53.79	1	5	-1	72	253.322	2	↓ MOL2 SDF SMILES Flexibase

62871910

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopentylcarbamoyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(cyclopentylcarbamoyl)-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)	2.21	6.86	-53.56	1	5	-1	72	253.322	2	↓ MOL2 SDF SMILES Flexibase

62871913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclopentylcarbamoyl)-3-ethyl-piperidine-3-carboxylic (3S)-1-(cyclopentylcarbamoyl)-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)	2.54	7.3	-51.82	1	5	-1	72	267.349	3	↓ MOL2 SDF SMILES Flexibase

62871914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopentylcarbamoyl)-3-ethyl-piperidine-3-carboxylic (3R)-1-(cyclopentylcarbamoyl)-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)	2.54	7.35	-51.55	1	5	-1	72	267.349	3	↓ MOL2 SDF SMILES Flexibase

62871915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclopentylcarbamoyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(cyclopentylcarbamoyl)-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)	3.10	8.07	-52.33	1	5	-1	72	281.376	4	↓ MOL2 SDF SMILES Flexibase

62871916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopentylcarbamoyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(cyclopentylcarbamoyl)-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)	3.10	8.08	-51.98	1	5	-1	72	281.376	4	↓ MOL2 SDF SMILES Flexibase

62873573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopentyl(methyl)carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[cyclopentyl(methyl)carba…

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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)	1.90	8.01	-43.34	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

62873574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopentyl(methyl)carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[cyclopentyl(methyl)carba…

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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)	1.90	8.01	-54.84	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

62873575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopentyl(methyl)carbamoyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[cyclopentyl(methyl)carba…

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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	8.36	-42.27	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

62873576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopentyl(methyl)carbamoyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[cyclopentyl(methyl)carba…

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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	8.49	-52.42	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

62873577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopentyl(methyl)carbamoyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[cyclopentyl(methyl)carba…

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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)	2.79	9.11	-42.65	0	5	-1	64	295.403	4	↓ MOL2 SDF SMILES Flexibase

62873578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopentyl(methyl)carbamoyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[cyclopentyl(methyl)carba…

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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)	2.79	9.23	-52.66	0	5	-1	64	295.403	4	↓ MOL2 SDF SMILES Flexibase

62873897

Analogs

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Popular Name: (3R)-1-[cyclopentyl(ethyl)carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[cyclopentyl(ethyl)carbam…

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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	8.48	-53.62	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

62873898

Analogs

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Popular Name: (3S)-1-[cyclopentyl(ethyl)carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[cyclopentyl(ethyl)carbam…

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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	8.57	-55.02	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

62873899

Analogs

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Popular Name: (3S)-1-[cyclopentyl(ethyl)carbamoyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[cyclopentyl(ethyl)carbam…

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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	9.25	-43.91	0	5	-1	64	295.403	4	↓ MOL2 SDF SMILES Flexibase

62873900

Analogs

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Popular Name: (3R)-1-[cyclopentyl(ethyl)carbamoyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[cyclopentyl(ethyl)carbam…

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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	8.94	-54.25	0	5	-1	64	295.403	4	↓ MOL2 SDF SMILES Flexibase

62875544

Analogs

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Popular Name: (3S)-1-[cyclopentyl(2-hydroxyethyl)carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[cyclopentyl(2-hydroxyeth…

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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)	1.27	5.52	-42.86	1	6	-1	84	297.375	4	↓ MOL2 SDF SMILES Flexibase

62875545

Analogs

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Popular Name: (3R)-1-[cyclopentyl(2-hydroxyethyl)carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[cyclopentyl(2-hydroxyeth…

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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)	1.27	5.29	-55.51	1	6	-1	84	297.375	4	↓ MOL2 SDF SMILES Flexibase

62876354

Analogs

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Popular Name: (3S)-1-[[(1R,2S)-2-methoxycyclopentyl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[[(1R,2S)-2-methoxycyclop…

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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)	1.67	6.3	-52.68	1	6	-1	82	283.348	3	↓ MOL2 SDF SMILES Flexibase

62876355

Analogs

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Popular Name: (3R)-1-[[(1R,2S)-2-methoxycyclopentyl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[[(1R,2S)-2-methoxycyclop…

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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)	1.67	6.32	-52.61	1	6	-1	82	283.348	3	↓ MOL2 SDF SMILES Flexibase

62876356

Analogs

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Popular Name: (3S)-1-[[(1S,2S)-2-methoxycyclopentyl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[[(1S,2S)-2-methoxycyclop…

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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)	1.67	5.86	-55.67	1	6	-1	82	283.348	3	↓ MOL2 SDF SMILES Flexibase

62876357

Analogs

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Popular Name: (3R)-1-[[(1S,2S)-2-methoxycyclopentyl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[[(1S,2S)-2-methoxycyclop…

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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)	1.67	5.86	-55.51	1	6	-1	82	283.348	3	↓ MOL2 SDF SMILES Flexibase

62876360

Analogs

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Popular Name: (3S)-3-ethyl-1-[[(1R,2S)-2-methoxycyclopentyl]carbamoyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[[(1R,2S)-2-metho…

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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)	2.01	6.76	-50.7	1	6	-1	82	297.375	4	↓ MOL2 SDF SMILES Flexibase

62876361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[[(1R,2S)-2-methoxycyclopentyl]carbamoyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[[(1R,2S)-2-metho…

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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)	2.01	6.8	-50.68	1	6	-1	82	297.375	4	↓ MOL2 SDF SMILES Flexibase

62876362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[[(1S,2S)-2-methoxycyclopentyl]carbamoyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[[(1S,2S)-2-metho…

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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)	2.01	6.32	-53.69	1	6	-1	82	297.375	4	↓ MOL2 SDF SMILES Flexibase

62876363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[[(1S,2S)-2-methoxycyclopentyl]carbamoyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[[(1S,2S)-2-metho…

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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)	2.01	6.34	-53.43	1	6	-1	82	297.375	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

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 16942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

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