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ZINC Item

Suppliers, Protomers, & Similar Substances

50907056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-propylpiperidine-1-carbonyl)cyclopropanecarboxylic 1-(4-propylpiperidine-1-carbonyl…

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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)	1.75	7.55	-45.2	0	4	-1	60	238.307	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.75	5.54	-8.45	1	4	0	58	239.315	4	↓ MOL2 SDF SMILES Flexibase

51750733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,4R)-2,4-dimethylpiperidine-1-carbonyl]cyclopropanecarboxylic 1-[(2R,4R)-2,4-dimethylpiperidin…

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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)	0.84	6.68	-44.76	0	4	-1	60	224.28	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.84	4.81	-9.42	1	4	0	58	225.288	2	↓ MOL2 SDF SMILES Flexibase

51750735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,4S)-2,4-dimethylpiperidine-1-carbonyl]cyclopropanecarboxylic 1-[(2R,4S)-2,4-dimethylpiperidin…

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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)	0.84	6.65	-53.19	0	4	-1	60	224.28	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.84	4.7	-8.59	1	4	0	58	225.288	2	↓ MOL2 SDF SMILES Flexibase

51750738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,4R)-2,4-dimethylpiperidine-1-carbonyl]cyclopropanecarboxylic 1-[(2S,4R)-2,4-dimethylpiperidin…

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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)	0.84	6.67	-46.37	0	4	-1	60	224.28	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.84	4.71	-8.67	1	4	0	58	225.288	2	↓ MOL2 SDF SMILES Flexibase

51750740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,4S)-2,4-dimethylpiperidine-1-carbonyl]cyclopropanecarboxylic 1-[(2S,4S)-2,4-dimethylpiperidin…

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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)	0.84	6.67	-45.43	0	4	-1	60	224.28	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.84	4.88	-8.55	1	4	0	58	225.288	2	↓ MOL2 SDF SMILES Flexibase

52924974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclopropanecarbonyl)-N-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxamide (3S)-1-(cyclopropanecarbonyl)-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)	-0.33	1.12	-18.69	2	6	0	79	284.356	7	↓ MOL2 SDF SMILES Flexibase

52924975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopropanecarbonyl)-N-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxamide (3R)-1-(cyclopropanecarbonyl)-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)	-0.33	1.12	-17.75	2	6	0	79	284.356	7	↓ MOL2 SDF SMILES Flexibase

71589620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-aminocyclopropyl)-[(3R)-3-propoxy-1-piperidyl]methanone (1-aminocyclopropyl)-[(3R)-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)	0.76	3.01	-49.61	3	4	1	57	227.328	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.76	2.76	-7.63	2	4	0	56	226.32	4	↓ MOL2 SDF SMILES Flexibase

71589621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-aminocyclopropyl)-[(3S)-3-propoxy-1-piperidyl]methanone (1-aminocyclopropyl)-[(3S)-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)	0.76	3.01	-45.55	3	4	1	57	227.328	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.76	2.76	-5.57	2	4	0	56	226.32	4	↓ MOL2 SDF SMILES Flexibase

22689976

Analogs

42746392
42746395

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2,2-dichloro-1-methyl-cyclopropanecarbonyl]piperidine-4-carboxamide 1-[(1S)-2,2-dichloro-1-methyl-cy…

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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)	0.99	3.18	-15.28	2	4	0	63	279.167	2	↓ MOL2 SDF SMILES Flexibase

22689978

Analogs

42746392
42746395

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2,2-dichloro-1-methyl-cyclopropanecarbonyl]piperidine-4-carboxamide 1-[(1R)-2,2-dichloro-1-methyl-cy…

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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)	0.99	3.18	-20.11	2	4	0	63	279.167	2	↓ MOL2 SDF SMILES Flexibase

36973105

Analogs

37993573
37993574

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic 2-[[(3S)-1-(cyclopropanecarbonyl…

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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)	-1.25	4.2	-48.52	1	6	-1	90	253.278	4	↓ MOL2 SDF SMILES Flexibase

36973107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic 2-[[(3R)-1-(cyclopropanecarbonyl…

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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)	-1.25	4.2	-48.51	1	6	-1	90	253.278	4	↓ MOL2 SDF SMILES Flexibase

36973482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]butanoic 4-[[1-(cyclopropanecarbonyl)pipe…

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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)	0.20	5.67	-51.48	1	6	-1	90	281.332	6	↓ MOL2 SDF SMILES Flexibase

36973587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic 4-[[(3S)-1-(cyclopropanecarbonyl…

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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)	0.20	5.64	-52.94	1	6	-1	90	281.332	6	↓ MOL2 SDF SMILES Flexibase

36973589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic 4-[[(3R)-1-(cyclopropanecarbonyl…

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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)	0.20	5.65	-52.98	1	6	-1	90	281.332	6	↓ MOL2 SDF SMILES Flexibase

36977613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3S)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-3-hydroxy-propanoic (2S)-2-[[(3S)-1-(cyclopropanecar…

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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	1.86	-66.82	2	7	-1	110	283.304	5	↓ MOL2 SDF SMILES Flexibase

36977615

Analogs

49477761
49477763
49477765
49478017
49478019

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-3-hydroxy-propanoic (2S)-2-[[(3R)-1-(cyclopropanecar…

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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	1.87	-62.13	2	7	-1	110	283.304	5	↓ MOL2 SDF SMILES Flexibase

36977617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(3S)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-3-hydroxy-propanoic (2R)-2-[[(3S)-1-(cyclopropanecar…

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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	1.91	-61.81	2	7	-1	110	283.304	5	↓ MOL2 SDF SMILES Flexibase

36977619

Analogs

49477761
49477763
49477765
49478017
49478019

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-3-hydroxy-propanoic (2R)-2-[[(3R)-1-(cyclopropanecar…

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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	1.91	-66.67	2	7	-1	110	283.304	5	↓ MOL2 SDF SMILES Flexibase

54713748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-chloro-N-[1-(cyclopropanecarbonyl)-4-piperidyl]-2-methyl-propanamide (2R)-3-chloro-N-[1-(cyclopropane…

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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	5.56	-12.57	1	4	0	49	272.776	4	↓ MOL2 SDF SMILES Flexibase

54713749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-chloro-N-[1-(cyclopropanecarbonyl)-4-piperidyl]-2-methyl-propanamide (2S)-3-chloro-N-[1-(cyclopropane…

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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	5.56	-12.54	1	4	0	49	272.776	4	↓ MOL2 SDF SMILES Flexibase

58519194

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclopropanecarbonyl)piperidine-3-carbonitrile (3S)-1-(cyclopropanecarbonyl)pip…

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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)	1.09	5.46	-11.07	0	3	0	44	178.235	1	↓ MOL2 SDF SMILES Flexibase

58519195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonitrile (3R)-1-(cyclopropanecarbonyl)pip…

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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)	1.09	5.47	-11.11	0	3	0	44	178.235	1	↓ MOL2 SDF SMILES Flexibase

61292730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-3-(ethylamino)propanamide N-[1-(cyclopropanecarbonyl)-4-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)	0.11	4.41	-49.73	3	5	1	66	268.381	6	↓ MOL2 SDF SMILES Flexibase

61292732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-2-(ethylamino)-2-methyl-propanamide N-[1-(cyclopropanecarbonyl)-4-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)	1.00	4.86	-49.47	3	5	1	66	282.408	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.00	3.62	-13.28	2	5	0	61	281.4	5	↓ MOL2 SDF SMILES Flexibase

61316383

Analogs

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Popular Name: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-2-methyl-2-(methylamino)propanamide N-[1-(cyclopropanecarbonyl)-4-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)	0.62	4.05	-51.46	3	5	1	66	268.381	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.62	2.81	-11.6	2	5	0	61	267.373	4	↓ MOL2 SDF SMILES Flexibase

61489695

Analogs

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Popular Name: (2S)-2-bromo-N-[1-(cyclopropanecarbonyl)-4-piperidyl]butanamide (2S)-2-bromo-N-[1-(cyclopropanec…

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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	5.62	-13.49	1	4	0	49	317.227	4	↓ MOL2 SDF SMILES Flexibase

61489696

Analogs

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Popular Name: (2R)-2-bromo-N-[1-(cyclopropanecarbonyl)-4-piperidyl]butanamide (2R)-2-bromo-N-[1-(cyclopropanec…

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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	5.63	-13.52	1	4	0	49	317.227	4	↓ MOL2 SDF SMILES Flexibase

352016

Analogs

4185401
4185402
4185403
4185404
6468365

Draw Identity 99% 90% 80% 70%

Popular Name: 1-{[3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropyl]carbonyl}-3-methylpiperidine 1-{[3-(2,2-dichlorovinyl)-2,2-di…

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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)	3.93	9.22	-6.55	0	2	0	20	290.234	2	↓ MOL2 SDF SMILES Flexibase

69055006

Analogs

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Popular Name: 2-[[(3S)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]oxyacetic 2-[[(3S)-1-(cyclopropanecarbonyl…

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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)	-0.38	5.65	-60.9	1	7	-1	99	269.277	5	↓ MOL2 SDF SMILES Flexibase

69055007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]oxyacetic 2-[[(3R)-1-(cyclopropanecarbonyl…

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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)	-0.38	5.65	-60.94	1	7	-1	99	269.277	5	↓ MOL2 SDF SMILES Flexibase

69073192

Analogs

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Popular Name: 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]oxyacetic 2-[[1-(cyclopropanecarbonyl)pipe…

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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)	-0.38	5.68	-58.39	1	7	-1	99	269.277	5	↓ MOL2 SDF SMILES Flexibase

62842031

Analogs

7787168

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Popular Name: 1-(cyclopropanecarbonyl)-4-methyl-piperidine-4-carboxylic 1-(cyclopropanecarbonyl)-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)	0.80	6	-49.15	0	4	-1	60	210.253	2	↓ MOL2 SDF SMILES Flexibase

62842050

Analogs

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Popular Name: 4-methyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidine-4-carboxylic 4-methyl-1-[(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)	1.41	6.7	-48.97	0	4	-1	60	224.28	2	↓ MOL2 SDF SMILES Flexibase

62842051

Analogs

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Popular Name: 4-methyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidine-4-carboxylic 4-methyl-1-[(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)	1.41	6.62	-49.22	0	4	-1	60	224.28	2	↓ MOL2 SDF SMILES Flexibase

62842052

Analogs

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Popular Name: 4-methyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidine-4-carboxylic 4-methyl-1-[(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)	1.41	6.67	-49.29	0	4	-1	60	224.28	2	↓ MOL2 SDF SMILES Flexibase

62842053

Analogs

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Popular Name: 4-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidine-4-carboxylic 4-methyl-1-[(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)	1.41	6.69	-48.89	0	4	-1	60	224.28	2	↓ MOL2 SDF SMILES Flexibase

62844550

Analogs

7787168

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Popular Name: 1-(cyclopropanecarbonyl)-4-ethyl-piperidine-4-carboxylic 1-(cyclopropanecarbonyl)-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)	1.13	6.49	-48.86	0	4	-1	60	224.28	3	↓ MOL2 SDF SMILES Flexibase

62844569

Analogs

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Popular Name: 4-ethyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidine-4-carboxylic 4-ethyl-1-[(1R,2S)-2-methylcyclo…

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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	7.16	-47.7	0	4	-1	60	238.307	3	↓ MOL2 SDF SMILES Flexibase

62844570

Analogs

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Popular Name: 4-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidine-4-carboxylic 4-ethyl-1-[(1S,2S)-2-methylcyclo…

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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	7.16	-48.72	0	4	-1	60	238.307	3	↓ MOL2 SDF SMILES Flexibase

62844571

Analogs

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Popular Name: 4-ethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidine-4-carboxylic 4-ethyl-1-[(1R,2R)-2-methylcyclo…

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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	7.13	-48.06	0	4	-1	60	238.307	3	↓ MOL2 SDF SMILES Flexibase

62844572

Analogs

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Popular Name: 4-ethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidine-4-carboxylic 4-ethyl-1-[(1S,2R)-2-methylcyclo…

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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	7.2	-48.34	0	4	-1	60	238.307	3	↓ MOL2 SDF SMILES Flexibase

62844893

Analogs

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Popular Name: 1-(cyclopropanecarbonyl)-4-propyl-piperidine-4-carboxylic 1-(cyclopropanecarbonyl)-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)	1.69	7.25	-49.25	0	4	-1	60	238.307	4	↓ MOL2 SDF SMILES Flexibase

62844911

Analogs

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Popular Name: 1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-propyl-piperidine-4-carboxylic 1-[(1R,2S)-2-methylcyclopropanec…

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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)	2.30	7.93	-48.07	0	4	-1	60	252.334	4	↓ MOL2 SDF SMILES Flexibase

62844912

Analogs

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Popular Name: 1-[(1S,2S)-2-methylcyclopropanecarbonyl]-4-propyl-piperidine-4-carboxylic 1-[(1S,2S)-2-methylcyclopropanec…

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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)	2.30	7.9	-48.4	0	4	-1	60	252.334	4	↓ MOL2 SDF SMILES Flexibase

62844913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-propyl-piperidine-4-carboxylic 1-[(1R,2R)-2-methylcyclopropanec…

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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)	2.30	7.89	-48.44	0	4	-1	60	252.334	4	↓ MOL2 SDF SMILES Flexibase

62844914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-propyl-piperidine-4-carboxylic 1-[(1S,2R)-2-methylcyclopropanec…

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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)	2.30	7.97	-48.71	0	4	-1	60	252.334	4	↓ MOL2 SDF SMILES Flexibase

62868164

Analogs

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Popular Name: (3S)-1-(cyclopropanecarbonyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(cyclopropanecarbonyl)-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)	0.80	6.44	-53.92	0	4	-1	60	210.253	2	↓ MOL2 SDF SMILES Flexibase

62868165

Analogs

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Popular Name: (3R)-1-(cyclopropanecarbonyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(cyclopropanecarbonyl)-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)	0.80	6.41	-54.12	0	4	-1	60	210.253	2	↓ 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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