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ZINC Item

Suppliers, Protomers, & Similar Substances

32955209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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)	1.90	5.8	-13.47	2	6	0	88	318.304	5	↓ MOL2 SDF SMILES Flexibase

19436486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-hydroxypyridine-3-carbonyl)-methyl-amino]benzoic 2-[(2-hydroxypyridine-3-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)	1.49	4.79	-83.41	1	6	-1	93	271.252	3	↓ MOL2 SDF SMILES Flexibase

19437849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[(2-hydroxypyridine-3-carbonyl)amino]benzoic 4-chloro-3-[(2-hydroxypyridine-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)	1.72	4.06	-88.23	2	6	-1	102	291.67	3	↓ MOL2 SDF SMILES Flexibase

13012540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methyl-phenyl)-2-hydroxy-pyridine-3-carboxamide N-(3-fluoro-4-methyl-phenyl)-2-h…

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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	4.45	-17.16	2	4	0	62	246.241	2	↓ MOL2 SDF SMILES Flexibase

13012659

Analogs

9458627

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide 2-hydroxy-N-[4-(trifluoromethoxy…

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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)	2.17	3.51	-14.31	2	5	0	71	298.22	4	↓ MOL2 SDF SMILES Flexibase

22743751

Analogs

36722061
40117644

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-2-methyl-phenyl)-2-hydroxy-pyridine-3-carboxamide N-(4-fluoro-2-methyl-phenyl)-2-h…

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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	4.73	-33.3	2	4	0	62	246.241	2	↓ MOL2 SDF SMILES Flexibase

36970987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic 2-[(4,6-dimethyl-2-oxo-1H-pyridi…

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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)	2.06	5.88	-68.65	2	6	-1	102	285.279	3	↓ MOL2 SDF SMILES Flexibase

36978148

Analogs

37980277
8940941

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic 3-[(4,6-dimethyl-2-oxo-1H-pyridi…

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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)	1.91	5.57	-62.05	2	6	-1	102	285.279	3	↓ MOL2 SDF SMILES Flexibase

23038287

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-diethoxyphenyl)-2-hydroxy-pyridine-3-carboxamide N-(3,4-diethoxyphenyl)-2-hydroxy…

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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)	1.60	4.92	-35.26	2	6	0	80	302.33	6	↓ MOL2 SDF SMILES Flexibase

60617213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2-hydroxy-pyridine-3-carboxamide N-(3-chlorophenyl)-2-hydroxy-pyr…

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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	4.26	-16.11	2	4	0	62	248.669	2	↓ MOL2 SDF SMILES Flexibase

60617296

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-hydroxy-pyridine-3-carboxamide N-(4-chlorophenyl)-2-hydroxy-pyr…

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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	4.24	-14.85	2	4	0	62	248.669	2	↓ MOL2 SDF SMILES Flexibase

14239947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide 2-hydroxy-5-nitro-N-[4-(trifluor…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	4.31	-25.16	2	8	0	117	343.217	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.74	3.24	-41.11	1	8	-1	120	342.209	5	↓ MOL2 SDF SMILES Flexibase

62824004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-hydroxypyridine-3-carbonyl)amino]-5-iodo-benzoic 2-[(2-hydroxypyridine-3-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)	2.31	5.82	-64.57	2	6	-1	102	383.121	3	↓ MOL2 SDF SMILES Flexibase

62825050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dibromo-2-[(2-hydroxypyridine-3-carbonyl)amino]benzoic 3,5-dibromo-2-[(2-hydroxypyridin…

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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)	2.77	5.83	-62.3	2	6	-1	102	415.017	3	↓ MOL2 SDF SMILES Flexibase

62826341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[(2-hydroxypyridine-3-carbonyl)amino]benzoic 3-bromo-2-[(2-hydroxypyridine-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	5.35	-66.59	2	6	-1	102	336.121	3	↓ MOL2 SDF SMILES Flexibase

62839167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(2-aminoethoxy)phenyl]-2-hydroxy-pyridine-3-carboxamide N-[3-(2-aminoethoxy)phenyl]-2-hy…

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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)	0.04	1.44	-55.22	5	6	1	99	274.3	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.04	1.01	-18.7	4	6	0	97	273.292	5	↓ MOL2 SDF SMILES Flexibase

63008876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[(2-hydroxypyridine-3-carbonyl)amino]benzoic 3-fluoro-4-[(2-hydroxypyridine-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)	1.21	4.39	-59.78	2	6	-1	102	275.215	3	↓ MOL2 SDF SMILES Flexibase

69515727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide 2-hydroxy-N-[4-[methoxy(methyl)s…

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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	1.9	-20.35	2	8	0	109	337.357	5	↓ MOL2 SDF SMILES Flexibase

69557307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-carbamoyl-3-chloro-phenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide N-(4-carbamoyl-3-chloro-phenyl)-…

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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)	1.45	2.33	-16.87	4	6	0	105	319.748	3	↓ MOL2 SDF SMILES Flexibase

55089249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(tert-butylcarbamoyl)-2-methyl-phenyl]-1,4,6-trimethyl-2-oxo-pyridine-3-carboxamide N-[3-(tert-butylcarbamoyl)-2-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)	2.82	7.82	-17.67	2	6	0	80	369.465	4	↓ MOL2 SDF SMILES Flexibase

55119814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[4-methoxy-3-(pentanoylamino)phenyl]pyridine-3-carboxamide 2-hydroxy-N-[4-methoxy-3-(pentan…

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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)	2.31	4.4	-22.21	3	7	0	100	343.383	7	↓ MOL2 SDF SMILES Flexibase

69706382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide N-(2-cyanoethyl)-N-(2,3-dimethyl…

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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	8.65	-20.29	1	5	0	77	309.369	4	↓ MOL2 SDF SMILES Flexibase

65551814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxo-pyridine-3-carboxamide N-(3,4-dichlorophenyl)-1,6-dimet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	6.99	-12.21	1	4	0	51	311.168	2	↓ MOL2 SDF SMILES Flexibase

65567982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[3-(2-methylpropanoylamino)phenyl]-2-oxo-pyridine-3-carboxamide 1-methyl-N-[3-(2-methylpropanoyl…

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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)	1.44	5.96	-23.52	2	6	0	80	313.357	4	↓ MOL2 SDF SMILES Flexibase

65587738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1,6-dimethyl-2-oxo-pyridine-3-carboxamide N-[4-chloro-3-(dimethylcarbamoyl…

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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)	0.90	6.4	-17.65	1	6	0	71	347.802	3	↓ MOL2 SDF SMILES Flexibase

65589213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylsulfamoyl)phenyl]-1,6-dimethyl-2-oxo-pyridine-3-carboxamide N-[3-(dimethylsulfamoyl)phenyl]-…

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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)	0.61	4.01	-19.84	1	7	0	88	349.412	4	↓ MOL2 SDF SMILES Flexibase

69815574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-carbamoyl-4-chloro-phenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide N-(3-carbamoyl-4-chloro-phenyl)-…

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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)	1.45	2.3	-15.7	4	6	0	105	319.748	3	↓ MOL2 SDF SMILES Flexibase

40554387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(ethylcarbamoyl)phenyl]-2-hydroxy-pyridine-3-carboxamide N-[4-(ethylcarbamoyl)phenyl]-2-h…

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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)	0.77	2.88	-21.11	3	6	0	91	285.303	4	↓ MOL2 SDF SMILES Flexibase

40769644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-3-methoxy-phenyl)-2-hydroxy-pyridine-3-carboxamide N-(4-amino-3-methoxy-phenyl)-2-h…

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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)	0.67	1.04	-17.18	4	6	0	97	259.265	3	↓ MOL2 SDF SMILES Flexibase

70331169

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[4-(hydroxymethyl)phenyl]-5-nitro-pyridine-3-carboxamide 2-hydroxy-N-[4-(hydroxymethyl)ph…

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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)	0.65	1.75	-17.69	3	8	0	128	289.247	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.10	0.93	-45.94	2	8	-1	131	288.239	4	↓ MOL2 SDF SMILES Flexibase

70331538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(hydroxymethyl)phenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide N-[4-(hydroxymethyl)phenyl]-4,6-…

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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)	1.36	2.34	-15.68	3	5	0	82	272.304	3	↓ MOL2 SDF SMILES Flexibase

49362297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[2-(hydroxymethyl)phenyl]-5-nitro-pyridine-3-carboxamide 2-hydroxy-N-[2-(hydroxymethyl)ph…

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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)	0.60	2.05	-17.04	3	8	0	128	289.247	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.06	1.2	-44.08	2	8	-1	131	288.239	4	↓ MOL2 SDF SMILES Flexibase

49362919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(hydroxymethyl)phenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide N-[2-(hydroxymethyl)phenyl]-4,6-…

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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)	1.31	2.63	-14.35	3	5	0	82	272.304	3	↓ MOL2 SDF SMILES Flexibase

41636876

Analogs

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Popular Name: N-(3-ethynylphenyl)-2-hydroxy-pyridine-3-carboxamide N-(3-ethynylphenyl)-2-hydroxy-py…

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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)	0.94	4.94	-17.21	2	4	0	62	238.246	2	↓ MOL2 SDF SMILES Flexibase

37334911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-2-[(2-hydroxypyridine-3-carbonyl)amino]benzoic 3,5-dichloro-2-[(2-hydroxypyridi…

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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	5.62	-62.33	2	6	-1	102	326.115	3	↓ MOL2 SDF SMILES Flexibase

49549549

Analogs

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Popular Name: 2-hydroxy-N-[2-[(1S)-1-hydroxyethyl]phenyl]pyridine-3-carboxamide 2-hydroxy-N-[2-[(1S)-1-hydroxyet…

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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)	0.72	2.13	-17.51	3	5	0	82	258.277	3	↓ MOL2 SDF SMILES Flexibase

49549551

Analogs

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Popular Name: 2-hydroxy-N-[2-[(1R)-1-hydroxyethyl]phenyl]pyridine-3-carboxamide 2-hydroxy-N-[2-[(1R)-1-hydroxyet…

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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)	0.72	2.22	-17.83	3	5	0	82	258.277	3	↓ MOL2 SDF SMILES Flexibase

49550333

Analogs

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Popular Name: N-[2-[(1R)-1-hydroxyethyl]phenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide N-[2-[(1R)-1-hydroxyethyl]phenyl…

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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)	1.54	3.43	-14.51	3	5	0	82	286.331	3	↓ MOL2 SDF SMILES Flexibase

49550335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1S)-1-hydroxyethyl]phenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide N-[2-[(1S)-1-hydroxyethyl]phenyl…

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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)	1.54	3.36	-14.07	3	5	0	82	286.331	3	↓ MOL2 SDF SMILES Flexibase

39264395

Analogs

9514596
12567261
12567262

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Popular Name: 2-hydroxy-N-[2-[(1R)-1-methylpropyl]phenyl]pyridine-3-carboxamide 2-hydroxy-N-[2-[(1R)-1-methylpro…

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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	6.51	-16.62	2	4	0	62	270.332	4	↓ MOL2 SDF SMILES Flexibase

39264397

Analogs

9514596
12567261
12567262

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[2-[(1S)-1-methylpropyl]phenyl]pyridine-3-carboxamide 2-hydroxy-N-[2-[(1S)-1-methylpro…

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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	6.51	-16.6	2	4	0	62	270.332	4	↓ MOL2 SDF SMILES Flexibase

39264477

Analogs

37980875

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Popular Name: 2-hydroxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]pyridine-3-carboxamide 2-hydroxy-N-[3-[(1S)-1-hydroxyet…

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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	1.9	-17.55	3	5	0	82	258.277	3	↓ MOL2 SDF SMILES Flexibase

39264478

Analogs

37980875

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[3-[(1R)-1-hydroxyethyl]phenyl]pyridine-3-carboxamide 2-hydroxy-N-[3-[(1R)-1-hydroxyet…

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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	1.89	-17.8	3	5	0	82	258.277	3	↓ MOL2 SDF SMILES Flexibase

42064651

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-hydroxy-pyridine-3-carboxamide N-(3-chloro-2-methyl-phenyl)-2-h…

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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)	2.24	5	-14.88	2	4	0	62	262.696	2	↓ MOL2 SDF SMILES Flexibase

68008728

Analogs

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Popular Name: N-(3-chloro-4-nitro-phenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide N-(3-chloro-4-nitro-phenyl)-6-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)	1.82	5.39	-13.24	2	7	0	108	307.693	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 12599
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 = 12599 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12599&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": "12599"        

    });
</script>

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