ZINC 12

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ZINC Item

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49628161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-cyclohexyl-5-(3-hydroxyprop-1-…

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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)	1.35	3.34	-11.51	2	4	0	62	258.321	2	↓ MOL2 SDF SMILES Flexibase

49628162

Analogs

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Popular Name: N-cyclohexyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-cyclohexyl-5-(4-hydroxybut-1-y…

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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)	1.62	4.1	-10.02	2	4	0	62	272.348	3	↓ MOL2 SDF SMILES Flexibase

49628298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(4-methylcyclohexyl)pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(4-me…

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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)	1.12	3.95	-11.31	2	4	0	62	272.348	2	↓ MOL2 SDF SMILES Flexibase

49628299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-(4-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)	1.39	5.13	-9.38	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628301

Analogs

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Popular Name: N-(4-hydroxycyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(4-hydroxycyclohexyl)-5-(3-hyd…

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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)	-0.27	0.14	-12.78	3	5	0	82	274.32	2	↓ MOL2 SDF SMILES Flexibase

49628302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-(4-hyd…

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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)	0.00	0.91	-11.3	3	5	0	82	288.347	3	↓ MOL2 SDF SMILES Flexibase

49628305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-5-(3-hydroxyprop-1-ynyl)-N-methyl-pyridine-3-carboxamide N-cyclohexyl-5-(3-hydroxyprop-1-…

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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)	1.12	4.78	-10.52	1	4	0	53	272.348	2	↓ MOL2 SDF SMILES Flexibase

49628306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-5-(4-hydroxybut-1-ynyl)-N-methyl-pyridine-3-carboxamide N-cyclohexyl-5-(4-hydroxybut-1-y…

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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)	1.39	5.54	-9.23	1	4	0	53	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-cyclohexyl-N-ethyl-5-(3-hydrox…

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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	5.72	-10.42	1	4	0	53	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628335

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(1S,2R)-2-methylcyclohexyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(1S,…

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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)	1.59	4.59	-10.49	2	4	0	62	272.348	2	↓ MOL2 SDF SMILES Flexibase

49628336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(1S,2S)-2-methylcyclohexyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(1S,…

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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)	1.59	4.2	-11.66	2	4	0	62	272.348	2	↓ MOL2 SDF SMILES Flexibase

49628337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(1R,2R)-2-methylcyclohexyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(1R,…

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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)	1.59	4.2	-12.09	2	4	0	62	272.348	2	↓ MOL2 SDF SMILES Flexibase

49628338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(1R,2S)-2-methylcyclohexyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(1R,…

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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)	1.59	4.59	-11.37	2	4	0	62	272.348	2	↓ MOL2 SDF SMILES Flexibase

49628339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[(1S,2R)-2-methylcyclohexyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[(1S,2…

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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	5.37	-9.25	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628340

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[(1S,2S)-2-methylcyclohexyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[(1S,2…

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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	4.98	-9.65	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[(1R,2R)-2-methylcyclohexyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[(1R,2…

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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	4.98	-9.52	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[(1R,2S)-2-methylcyclohexyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[(1R,2…

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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	5.37	-8.9	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(1S,2R,3R)-2,3-dimethylcycloh…

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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)	1.83	4.26	-11.8	2	4	0	62	286.375	2	↓ MOL2 SDF SMILES Flexibase

49628383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(1S,2R,3S)-2,3-dimethylcycloh…

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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)	1.83	5.07	-10.66	2	4	0	62	286.375	2	↓ MOL2 SDF SMILES Flexibase

49628384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(1R,2R,3R)-2,3-dimethylcycloh…

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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)	1.83	4.44	-11.95	2	4	0	62	286.375	2	↓ MOL2 SDF SMILES Flexibase

49628385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(1R,2R,3S)-2,3-dimethylcycloh…

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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)	1.83	4.67	-10.96	2	4	0	62	286.375	2	↓ MOL2 SDF SMILES Flexibase

49628465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(1S,3R)-3-methylcyclohexyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(1S,…

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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)	1.36	3.95	-12.11	2	4	0	62	272.348	2	↓ MOL2 SDF SMILES Flexibase

49628466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(1S,3S)-3-methylcyclohexyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(1S,…

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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)	1.36	4.37	-10.89	2	4	0	62	272.348	2	↓ MOL2 SDF SMILES Flexibase

49628467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(1R,3R)-3-methylcyclohexyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(1R,…

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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)	1.36	4.37	-10.5	2	4	0	62	272.348	2	↓ MOL2 SDF SMILES Flexibase

49628468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(1R,3S)-3-methylcyclohexyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(1R,…

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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)	1.36	3.95	-11.17	2	4	0	62	272.348	2	↓ MOL2 SDF SMILES Flexibase

49628469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[(1S,3R)-3-methylcyclohexyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[(1S,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	4.72	-9.55	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[(1S,3S)-3-methylcyclohexyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[(1S,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	5.13	-9.05	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628471

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[(1R,3R)-3-methylcyclohexyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[(1R,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	5.14	-9.21	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628472

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[(1R,3S)-3-methylcyclohexyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[(1R,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	4.71	-9.88	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628768

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-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)	0.89	5.38	-10.26	1	4	0	53	286.375	2	↓ MOL2 SDF SMILES Flexibase

49628777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1S,3R)-3-methylcyclohexyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-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)	1.13	5.38	-10.88	1	4	0	53	286.375	2	↓ MOL2 SDF SMILES Flexibase

49628778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1S,3S)-3-methylcyclohexyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-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)	1.13	4.77	-10.18	1	4	0	53	286.375	2	↓ MOL2 SDF SMILES Flexibase

49628779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1R,3R)-3-methylcyclohexyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-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)	1.13	5.36	-10.89	1	4	0	53	286.375	2	↓ MOL2 SDF SMILES Flexibase

49628780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1R,3S)-3-methylcyclohexyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-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)	1.13	5.39	-10.84	1	4	0	53	286.375	2	↓ MOL2 SDF SMILES Flexibase

49628827

Analogs

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Popular Name: N-[(1S,2R)-2-ethylcyclohexyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(1S,2R)-2-ethylcyclohexyl]-5-…

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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)	2.09	5.22	-10.44	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-ethylcyclohexyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(1S,2S)-2-ethylcyclohexyl]-5-…

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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)	2.09	4.85	-11.95	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-ethylcyclohexyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(1R,2R)-2-ethylcyclohexyl]-5-…

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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)	2.09	4.85	-10.97	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-ethylcyclohexyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(1R,2S)-2-ethylcyclohexyl]-5-…

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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)	2.09	5.22	-10.96	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628832

Analogs

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Popular Name: N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(4-ethylcyclohexyl)-5-(3-hydro…

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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)	1.80	4.6	-11.26	2	4	0	62	286.375	3	↓ MOL2 SDF SMILES Flexibase

49628958

Analogs

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Popular Name: (E)-3-[5-[(4-methylcyclohexyl)carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[(4-methylcyclohexyl)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)	1.34	7.39	-50.21	1	5	-1	82	287.339	4	↓ MOL2 SDF SMILES Flexibase

49628959

Analogs

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Popular Name: (E)-3-[5-[(4-hydroxycyclohexyl)carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[(4-hydroxycyclohexyl)c…

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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)	-0.05	3.03	-53.85	2	6	-1	102	289.311	4	↓ MOL2 SDF SMILES Flexibase

49628961

Analogs

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Popular Name: (E)-3-[5-[cyclohexyl(methyl)carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[cyclohexyl(methyl)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)	1.35	7.81	-46.87	0	5	-1	73	287.339	4	↓ MOL2 SDF SMILES Flexibase

49628971

Analogs

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Popular Name: (E)-3-[5-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(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)	1.81	7.62	-50.14	1	5	-1	82	287.339	4	↓ MOL2 SDF SMILES Flexibase

49628972

Analogs

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Popular Name: (E)-3-[5-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(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)	1.81	7.23	-50.84	1	5	-1	82	287.339	4	↓ MOL2 SDF SMILES Flexibase

49628973

Analogs

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Popular Name: (E)-3-[5-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(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)	1.81	7.23	-50.84	1	5	-1	82	287.339	4	↓ MOL2 SDF SMILES Flexibase

49628974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(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)	1.81	7.62	-50.14	1	5	-1	82	287.339	4	↓ MOL2 SDF SMILES Flexibase

49629016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(1S,3R)-3-methylcyclohexyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1S,3R)-3-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)	1.58	6.98	-50.84	1	5	-1	82	287.339	4	↓ MOL2 SDF SMILES Flexibase

49629017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(1S,3S)-3-methylcyclohexyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1S,3S)-3-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)	1.58	7.4	-50.03	1	5	-1	82	287.339	4	↓ MOL2 SDF SMILES Flexibase

49629018

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(1R,3R)-3-methylcyclohexyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1R,3R)-3-methylcyclo…

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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)	1.58	7.4	-50.03	1	5	-1	82	287.339	4	↓ MOL2 SDF SMILES Flexibase

49629019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(1R,3S)-3-methylcyclohexyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1R,3S)-3-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)	1.58	6.98	-50.84	1	5	-1	82	287.339	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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