ZINC 12

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ZINC Item

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49628232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(cyclopropylmethyl)-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)	0.31	2.2	-11.21	2	4	0	62	230.267	3	↓ MOL2 SDF SMILES Flexibase

49628233

Analogs

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Popular Name: N-(cyclopropylmethyl)-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-(cyclopropylmethyl)-5-(4-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)	0.58	2.97	-9.74	2	4	0	62	244.294	4	↓ MOL2 SDF SMILES Flexibase

49628410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(1S)-1-cyclopropylethyl]-5-(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)	0.64	2.8	-11.15	2	4	0	62	244.294	3	↓ MOL2 SDF SMILES Flexibase

49628411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(1R)-1-cyclopropylethyl]-5-(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)	0.64	2.83	-11.72	2	4	0	62	244.294	3	↓ MOL2 SDF SMILES Flexibase

49628412

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.91	3.58	-9.57	2	4	0	62	258.321	4	↓ MOL2 SDF SMILES Flexibase

49628413

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.91	3.7	-9.62	2	4	0	62	258.321	4	↓ MOL2 SDF SMILES Flexibase

49628503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-5-(3-hydroxyprop-1-ynyl)-N-methyl-pyridine-3-carboxamide N-[(1S)-1-cyclopropylethyl]-5-(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)	0.42	4.29	-10.3	1	4	0	53	258.321	3	↓ MOL2 SDF SMILES Flexibase

49628504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-5-(3-hydroxyprop-1-ynyl)-N-methyl-pyridine-3-carboxamide N-[(1R)-1-cyclopropylethyl]-5-(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)	0.42	4.3	-10.74	1	4	0	53	258.321	3	↓ MOL2 SDF SMILES Flexibase

49628505

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.69	5.06	-9.13	1	4	0	53	272.348	4	↓ MOL2 SDF SMILES Flexibase

49628506

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.69	5.11	-9.2	1	4	0	53	272.348	4	↓ MOL2 SDF SMILES Flexibase

49628704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methyl-pyridine-3-carboxamide N-(cyclopropylmethyl)-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)	0.09	3.97	-10.88	1	4	0	53	244.294	3	↓ MOL2 SDF SMILES Flexibase

49628705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-5-(4-hydroxybut-1-ynyl)-N-methyl-pyridine-3-carboxamide N-(cyclopropylmethyl)-5-(4-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)	0.36	4.74	-9.46	1	4	0	53	258.321	4	↓ MOL2 SDF SMILES Flexibase

49628771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-propyl-pyridine-3-carboxamide N-(cyclopropylmethyl)-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)	0.96	5.55	-10.21	1	4	0	53	272.348	5	↓ MOL2 SDF SMILES Flexibase

49628772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-5-(4-hydroxybut-1-ynyl)-N-propyl-pyridine-3-carboxamide N-(cyclopropylmethyl)-5-(4-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)	1.24	6.34	-8.36	1	4	0	53	286.375	6	↓ MOL2 SDF SMILES Flexibase

49628992

Analogs

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Popular Name: (E)-3-[5-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1S)-1-cyclopropyleth…

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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	5.83	-50.53	1	5	-1	82	259.285	5	↓ MOL2 SDF SMILES Flexibase

49628993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(1R)-1-cyclopropylethyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1R)-1-cyclopropyleth…

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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	5.86	-50.56	1	5	-1	82	259.285	5	↓ MOL2 SDF SMILES Flexibase

49629034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1S)-1-cyclopropyleth…

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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)	0.64	7.32	-46.95	0	5	-1	73	273.312	5	↓ MOL2 SDF SMILES Flexibase

49629035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1R)-1-cyclopropyleth…

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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)	0.64	7.33	-47.01	0	5	-1	73	273.312	5	↓ MOL2 SDF SMILES Flexibase

49629143

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-(cyclopropylmethylcarbamoyl)-3-pyridyl]prop-2-enoic (E)-3-[5-(cyclopropylmethylcarba…

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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)	0.54	5.23	-50.46	1	5	-1	82	245.258	5	↓ MOL2 SDF SMILES Flexibase

49629162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[cyclopropylmethyl(methyl)carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[cyclopropylmethyl(meth…

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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)	0.31	7	-47.31	0	5	-1	73	259.285	5	↓ MOL2 SDF SMILES Flexibase

49629175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[cyclopropylmethyl(propyl)carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[cyclopropylmethyl(prop…

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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	8.6	-46.96	0	5	-1	73	287.339	7	↓ MOL2 SDF SMILES Flexibase

49629277

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-(cyclop…

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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)	-0.25	2.91	-52.65	4	4	1	70	230.291	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.25	2.51	-9.32	3	4	0	68	229.283	3	↓ MOL2 SDF SMILES Flexibase

49629397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(1S)-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)	0.08	3.51	-52.85	4	4	1	70	244.318	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.08	3.11	-8.83	3	4	0	68	243.31	3	↓ MOL2 SDF SMILES Flexibase

49629398

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(1R)-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)	0.08	3.54	-51.72	4	4	1	70	244.318	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.08	3.13	-9.36	3	4	0	68	243.31	3	↓ MOL2 SDF SMILES Flexibase

49629447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1S)-1-cyclopropylethyl]-N-methyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(1S)-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)	-0.15	5	-58.05	3	4	1	61	258.345	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.15	4.59	-8.67	2	4	0	59	257.337	3	↓ MOL2 SDF SMILES Flexibase

49629448

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1R)-1-cyclopropylethyl]-N-methyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(1R)-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)	-0.15	5.01	-58.1	3	4	1	61	258.345	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.15	4.6	-8.57	2	4	0	59	257.337	3	↓ MOL2 SDF SMILES Flexibase

49629564

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-(cyclop…

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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)	-0.48	4.67	-57.27	3	4	1	61	244.318	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.48	4.27	-9.14	2	4	0	59	243.31	3	↓ MOL2 SDF SMILES Flexibase

49629606

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-(cyclop…

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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)	0.40	6.26	-57.8	3	4	1	61	272.372	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.40	5.85	-8.04	2	4	0	59	271.364	5	↓ MOL2 SDF SMILES Flexibase

68948930

Analogs

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Popular Name: 6-amino-N-(cyclopropylmethyl)-N-ethyl-pyridine-3-carboxamide 6-amino-N-(cyclopropylmethyl)-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)	0.74	4.65	-8.18	2	4	0	59	219.288	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.74	5.13	-36.28	3	4	1	60	220.296	4	↓ MOL2 SDF SMILES Flexibase

68948944

Analogs

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Popular Name: 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-hydrazino-pyridine-3-carboxamide 5-bromo-N-(cyclopropylmethyl)-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)	1.40	5.58	-7.22	3	5	0	71	313.199	5	↓ MOL2 SDF SMILES Flexibase

68948950

Analogs

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Popular Name: 5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-hydrazino-pyridine-3-carboxamide 5-chloro-N-(cyclopropylmethyl)-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)	1.10	5.11	-7.64	3	5	0	71	268.748	5	↓ MOL2 SDF SMILES Flexibase

68948960

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-6-hydrazino-pyridine-3-carboxamide N-(cyclopropylmethyl)-N-ethyl-6-…

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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)	0.50	4.55	-9.25	3	5	0	71	234.303	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.50	5.06	-34.41	4	5	1	72	235.311	5	↓ MOL2 SDF SMILES Flexibase

69052161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-methyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]pyridine-3-carboxamide 2-chloro-N-methyl-N-[[(1S,2R)-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)	2.11	6.2	-12.36	0	3	0	33	238.718	3	↓ MOL2 SDF SMILES Flexibase

69052163

Analogs

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Popular Name: 2-chloro-N-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]pyridine-3-carboxamide 2-chloro-N-methyl-N-[[(1S,2S)-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)	2.11	6.27	-12.26	0	3	0	33	238.718	3	↓ MOL2 SDF SMILES Flexibase

69052165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-methyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]pyridine-3-carboxamide 2-chloro-N-methyl-N-[[(1R,2R)-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)	2.11	6.27	-12.72	0	3	0	33	238.718	3	↓ MOL2 SDF SMILES Flexibase

69052166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]pyridine-3-carboxamide 2-chloro-N-methyl-N-[[(1R,2S)-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)	2.11	6.2	-12.67	0	3	0	33	238.718	3	↓ MOL2 SDF SMILES Flexibase

69236792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-(cyclopropylmethyl)-N-ethyl-2-methyl-pyridine-3-carboxamide 5-amino-N-(cyclopropylmethyl)-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)	0.93	4.63	-9.33	2	4	0	59	233.315	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.93	5.03	-34.28	3	4	1	60	234.323	4	↓ MOL2 SDF SMILES Flexibase

69237983

Analogs

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Popular Name: 2-chloro-N-(cyclopropylmethyl)-N-ethyl-pyridine-3-carboxamide 2-chloro-N-(cyclopropylmethyl)-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)	1.88	6.6	-11.88	0	3	0	33	238.718	4	↓ MOL2 SDF SMILES Flexibase

69238009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-chloro-N-(cyclopropylmethyl)-N-ethyl-pyridine-3-carboxamide 5-bromo-2-chloro-N-(cyclopropylm…

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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)	2.84	7.2	-7.6	0	3	0	33	317.614	4	↓ MOL2 SDF SMILES Flexibase

69238036

Analogs

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Popular Name: 5,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-pyridine-3-carboxamide 5,6-dichloro-N-(cyclopropylmethy…

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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	6.87	-5.64	0	3	0	33	273.163	4	↓ MOL2 SDF SMILES Flexibase

69238561

Analogs

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Popular Name: 5-bromo-N-(cyclopropylmethyl)-N-ethyl-pyridine-3-carboxamide 5-bromo-N-(cyclopropylmethyl)-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)	1.87	6.6	-5.93	0	3	0	33	283.169	4	↓ MOL2 SDF SMILES Flexibase

69262674

Analogs

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Popular Name: 5-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-2-carboxylic 5-[cyclopropylmethyl(ethyl)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)	0.56	6.57	-49.78	0	5	-1	73	247.274	5	↓ MOL2 SDF SMILES Flexibase

69263350

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(cyclopropylmethyl)-N-ethyl-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)	0.46	4.79	-10.21	1	4	0	53	258.321	4	↓ MOL2 SDF SMILES Flexibase

69263384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-(cyclopropylmethyl)-N-ethyl-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)	0.73	5.55	-8.67	1	4	0	53	272.348	5	↓ MOL2 SDF SMILES Flexibase

69263392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-(cyclop…

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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)	-0.10	5.5	-56.57	3	4	1	61	258.345	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.10	5.09	-8.11	2	4	0	59	257.337	4	↓ MOL2 SDF SMILES Flexibase

69264358

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[cyclopropylmethyl(ethyl)carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[cyclopropylmethyl(ethy…

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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)	0.69	7.83	-46.97	0	5	-1	73	273.312	6	↓ MOL2 SDF SMILES Flexibase

69264950

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-carboxamide 5-chloro-N-(cyclopropylmethyl)-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)	1.72	6.43	-6.94	1	4	0	45	267.76	5	↓ MOL2 SDF SMILES Flexibase

69264987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-chloro-N-(cyclopropylmethyl)-N-ethyl-pyridine-3-carboxamide 6-amino-5-chloro-N-(cyclopropylm…

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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	5.23	-6.82	2	4	0	59	253.733	4	↓ MOL2 SDF SMILES Flexibase

69264989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-carboxamide N-(cyclopropylmethyl)-N-ethyl-6-…

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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)	1.11	5.57	-8.13	1	4	0	45	233.315	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.11	6.04	-34.14	2	4	1	46	234.323	5	↓ MOL2 SDF SMILES Flexibase

69264996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-6-(propylamino)pyridine-3-carboxamide N-(cyclopropylmethyl)-N-ethyl-6-…

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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	7.16	-7.77	1	4	0	45	261.369	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.99	7.63	-34.85	2	4	1	46	262.377	7	↓ 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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