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ZINC Item

Suppliers, Protomers, & Similar Substances

50906899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[cyclopropyl-(4-propylpiperidine-1-carbonyl)amino]propanoic 3-[cyclopropyl-(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)	2.51	8.68	-40.33	0	5	-1	64	281.376	6	↓ MOL2 SDF SMILES Flexibase

50906907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl-(4-propylpiperidine-1-carbonyl)amino]acetic 2-[cyclopropyl-(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)	1.33	8.53	-55.95	0	5	-1	64	267.349	5	↓ MOL2 SDF SMILES Flexibase

37080310

Analogs

42794423

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(ethyl)carbamoyl]piperidine-4-carboxylic 1-[cyclopropyl(ethyl)carbamoyl]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)	1.00	6.77	-48.61	0	5	-1	64	239.295	3	↓ MOL2 SDF SMILES Flexibase

37080311

Analogs

19981241
19981605
19981601
19981237
19981299

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropyl(ethyl)carbamoyl]piperidine-3-carboxylic (3S)-1-[cyclopropyl(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)	1.00	6.6	-55.18	0	5	-1	64	239.295	3	↓ MOL2 SDF SMILES Flexibase

37080312

Analogs

19981241
19981605
19981601
19981237
19981299

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropyl(ethyl)carbamoyl]piperidine-3-carboxylic (3R)-1-[cyclopropyl(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)	1.00	6.73	-54.65	0	5	-1	64	239.295	3	↓ MOL2 SDF SMILES Flexibase

37081457

Analogs

19982051

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(methyl)carbamoyl]piperidine-4-carboxylic 1-[cyclopropyl(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)	0.62	6.06	-52.33	0	5	-1	64	225.268	2	↓ MOL2 SDF SMILES Flexibase

37081458

Analogs

19981241
19981605
19981601
19981237
19981299

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropyl(methyl)carbamoyl]piperidine-3-carboxylic (3S)-1-[cyclopropyl(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)	0.62	6.02	-55.45	0	5	-1	64	225.268	2	↓ MOL2 SDF SMILES Flexibase

37081459

Analogs

19981241
19981605
19981601
19981237
19981299

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropyl(methyl)carbamoyl]piperidine-3-carboxylic (3R)-1-[cyclopropyl(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)	0.62	5.99	-43.72	0	5	-1	64	225.268	2	↓ MOL2 SDF SMILES Flexibase

37097667

Analogs

19982051
36379816
470953

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(propyl)carbamoyl]piperidine-4-carboxylic 1-[cyclopropyl(propyl)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)	1.50	7.5	-48.25	0	5	-1	64	253.322	4	↓ MOL2 SDF SMILES Flexibase

37097668

Analogs

42560185
42560188

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic (3S)-1-[cyclopropyl(propyl)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)	1.50	7.33	-54.36	0	5	-1	64	253.322	4	↓ MOL2 SDF SMILES Flexibase

37097669

Analogs

42560185
42560188
19981241
19981605
19981601

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic (3R)-1-[cyclopropyl(propyl)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)	1.50	7.47	-53.88	0	5	-1	64	253.322	4	↓ MOL2 SDF SMILES Flexibase

62842696

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylcarbamoyl)-4-methyl-piperidine-4-carboxylic 1-(cyclopropylcarbamoyl)-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)	1.17	5.1	-49.48	1	5	-1	72	225.268	2	↓ MOL2 SDF SMILES Flexibase

62843052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(ethyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclopropyl(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)	1.24	6.85	-51.75	0	5	-1	64	253.322	3	↓ MOL2 SDF SMILES Flexibase

62843057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(methyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclopropyl(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)	0.87	6.07	-51.77	0	5	-1	64	239.295	2	↓ MOL2 SDF SMILES Flexibase

62843076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(propyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclopropyl(propyl)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)	1.75	7.73	-48.43	0	5	-1	64	267.349	4	↓ MOL2 SDF SMILES Flexibase

62843494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[butyl(cyclopropyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[butyl(cyclopropyl)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)	2.30	8.52	-48.34	0	5	-1	64	281.376	5	↓ MOL2 SDF SMILES Flexibase

62843517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclopropyl(2-methoxyethyl)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)	0.85	6.1	-46.74	0	6	-1	73	283.348	5	↓ MOL2 SDF SMILES Flexibase

62843735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclopropyl(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)	0.23	3.59	-52.42	1	6	-1	84	269.321	4	↓ MOL2 SDF SMILES Flexibase

62843761

Analogs

42549852

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-cyanoethyl(cyclopropyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[2-cyanoethyl(cyclopropyl)carb…

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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)	0.32	7.3	-54.55	0	6	-1	87	278.332	4	↓ MOL2 SDF SMILES Flexibase

62843771

Analogs

42560191

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(isobutyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclopropyl(isobutyl)carbamoy…

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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)	1.99	7.88	-51.59	0	5	-1	64	281.376	4	↓ MOL2 SDF SMILES Flexibase

62843810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclopropyl(2,2,2-trifluoroet…

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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)	1.79	7.2	-44.8	0	5	-1	64	307.292	4	↓ MOL2 SDF SMILES Flexibase

62843867

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	6.4	-49.5	1	5	-1	72	253.322	2	↓ MOL2 SDF SMILES Flexibase

62843868

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	6.39	-48.81	1	5	-1	72	253.322	2	↓ MOL2 SDF SMILES Flexibase

62843928

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.78	5.95	-50	1	5	-1	72	239.295	2	↓ MOL2 SDF SMILES Flexibase

62843929

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.78	5.72	-49.08	1	5	-1	72	239.295	2	↓ MOL2 SDF SMILES Flexibase

62843930

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.78	5.79	-49.16	1	5	-1	72	239.295	2	↓ MOL2 SDF SMILES Flexibase

62843931

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.78	5.95	-48.95	1	5	-1	72	239.295	2	↓ MOL2 SDF SMILES Flexibase

62845187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylcarbamoyl)-4-ethyl-piperidine-4-carboxylic 1-(cyclopropylcarbamoyl)-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)	1.51	5.59	-48.75	1	5	-1	72	239.295	3	↓ MOL2 SDF SMILES Flexibase

62845203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylcarbamoyl)-4-propyl-piperidine-4-carboxylic 1-(cyclopropylcarbamoyl)-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)	2.07	6.36	-49.1	1	5	-1	72	253.322	4	↓ MOL2 SDF SMILES Flexibase

62846580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(ethyl)carbamoyl]-4-propyl-piperidine-4-carboxylic 1-[cyclopropyl(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)	2.14	8.21	-47.09	0	5	-1	64	281.376	5	↓ MOL2 SDF SMILES Flexibase

62846582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(ethyl)carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[cyclopropyl(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)	1.58	7.43	-46.71	0	5	-1	64	267.349	4	↓ MOL2 SDF SMILES Flexibase

62846585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(methyl)carbamoyl]-4-propyl-piperidine-4-carboxylic 1-[cyclopropyl(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)	1.76	7.33	-52.32	0	5	-1	64	267.349	4	↓ MOL2 SDF SMILES Flexibase

62846588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(methyl)carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[cyclopropyl(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)	1.20	6.56	-51.83	0	5	-1	64	253.322	3	↓ MOL2 SDF SMILES Flexibase

62846616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(propyl)carbamoyl]-4-propyl-piperidine-4-carboxylic 1-[cyclopropyl(propyl)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)	2.64	8.95	-46.67	0	5	-1	64	295.403	6	↓ MOL2 SDF SMILES Flexibase

62846618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropyl(propyl)carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[cyclopropyl(propyl)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)	2.08	8.12	-51.46	0	5	-1	64	281.376	5	↓ MOL2 SDF SMILES Flexibase

62847090

Analogs

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Popular Name: 1-[butyl(cyclopropyl)carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[butyl(cyclopropyl)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)	2.64	8.9	-51.62	0	5	-1	64	295.403	6	↓ MOL2 SDF SMILES Flexibase

62847104

Analogs

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Popular Name: 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[cyclopropyl(2-methoxyethyl)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)	1.19	6.57	-45.88	0	6	-1	73	297.375	6	↓ MOL2 SDF SMILES Flexibase

62847238

Analogs

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Popular Name: 1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4-propyl-piperidine-4-carboxylic 1-[cyclopropyl(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)	1.13	4.94	-47.37	1	6	-1	84	297.375	6	↓ MOL2 SDF SMILES Flexibase

62847239

Analogs

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Popular Name: 1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[cyclopropyl(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)	0.57	4.17	-47.09	1	6	-1	84	283.348	5	↓ MOL2 SDF SMILES Flexibase

62847264

Analogs

42549852

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Popular Name: 1-[2-cyanoethyl(cyclopropyl)carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[2-cyanoethyl(cyclopropyl)carb…

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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)	0.66	7.91	-52.4	0	6	-1	87	292.359	5	↓ MOL2 SDF SMILES Flexibase

62847274

Analogs

42560191

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Popular Name: 1-[cyclopropyl(isobutyl)carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[cyclopropyl(isobutyl)carbamoy…

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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)	2.32	8.42	-46.16	0	5	-1	64	295.403	5	↓ MOL2 SDF SMILES Flexibase

62847369

Analogs

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

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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)	2.63	7.71	-49.73	1	5	-1	72	281.376	4	↓ MOL2 SDF SMILES Flexibase

62847370

Analogs

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

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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)	2.63	7.67	-48.73	1	5	-1	72	281.376	4	↓ MOL2 SDF SMILES Flexibase

62847371

Analogs

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

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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)	2.07	6.94	-49.32	1	5	-1	72	267.349	3	↓ MOL2 SDF SMILES Flexibase

62847372

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.07	6.9	-48.35	1	5	-1	72	267.349	3	↓ MOL2 SDF SMILES Flexibase

62847426

Analogs

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

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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	7.17	-48.83	1	5	-1	72	267.349	4	↓ MOL2 SDF SMILES Flexibase

62847427

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	7.03	-48.99	1	5	-1	72	267.349	4	↓ MOL2 SDF SMILES Flexibase

62847428

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	7	-49.01	1	5	-1	72	267.349	4	↓ MOL2 SDF SMILES Flexibase

62847429

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	7.2	-48.84	1	5	-1	72	267.349	4	↓ MOL2 SDF SMILES Flexibase

62847430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[[(1R,2S)-2-methylcyclopropyl]carbamoyl]piperidine-4-carboxylic 4-ethyl-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)	2.12	6.44	-49.34	1	5	-1	72	253.322	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 16965
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 16965 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=16965&filter.purchasability=annotated

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">
    window.zinc.embed('zinc-link', {
        "ring.id": "16965"        

    });
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