ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

52953018

Analogs

39264164
39264423
39264428

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-3-sulfamoyl-phenyl)-2-phenoxy-pyridine-3-carboxamide N-(4-methyl-3-sulfamoyl-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)	2.70	3.67	-28.49	3	7	0	111	383.429	5	↓ MOL2 SDF SMILES Flexibase

41864065

Analogs

39262961
39263052
39263860

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(diethylcarbamoyl)phenyl]-2-phenoxy-pyridine-3-carboxamide N-[3-(diethylcarbamoyl)phenyl]-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)	3.33	9.64	-26.89	1	6	0	72	389.455	7	↓ MOL2 SDF SMILES Flexibase

41864121

Analogs

39262961
39263052
39263860

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(ethylcarbamoyl)phenyl]-2-phenoxy-pyridine-3-carboxamide N-[3-(ethylcarbamoyl)phenyl]-2-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)	3.18	7.06	-28.68	2	6	0	80	361.401	6	↓ MOL2 SDF SMILES Flexibase

38735934

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-nitrophenoxy)-N-(o-tolyl)pyridine-3-carboxamide 2-(3-nitrophenoxy)-N-(o-tolyl)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)	3.97	9.55	-18.99	1	7	0	97	349.346	5	↓ MOL2 SDF SMILES Flexibase

38736030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide 2-(3-nitrophenoxy)-N-[3-(trifluo…

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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)	4.44	9.67	-21.64	1	7	0	97	403.316	6	↓ MOL2 SDF SMILES Flexibase

38736034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methylsulfanylphenyl)-2-(3-nitrophenoxy)pyridine-3-carboxamide N-(3-methylsulfanylphenyl)-2-(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)	3.98	9.68	-21.76	1	7	0	97	381.413	6	↓ MOL2 SDF SMILES Flexibase

38736066

Analogs

44947105

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-(3-nitrophenoxy)pyridine-3-carboxamide N-(4-methoxyphenyl)-2-(3-nitroph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	7.94	-20.27	1	8	0	106	365.345	6	↓ MOL2 SDF SMILES Flexibase

39262374

Analogs

24349230
29490359
27769735
25705043

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethylphenoxy)-N-(3-methoxyphenyl)pyridine-3-carboxamide 2-(2,4-dimethylphenoxy)-N-(3-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)	4.49	8.45	-19.83	1	5	0	60	348.402	5	↓ MOL2 SDF SMILES Flexibase

39262385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethylphenoxy)-N-[4-[(1R)-1-methylpropyl]phenyl]pyridine-3-carboxamide 2-(2,4-dimethylphenoxy)-N-[4-[(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)	6.32	11.73	-15.85	1	4	0	51	374.484	6	↓ MOL2 SDF SMILES Flexibase

39262388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethylphenoxy)-N-[4-[(1S)-1-methylpropyl]phenyl]pyridine-3-carboxamide 2-(2,4-dimethylphenoxy)-N-[4-[(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)	6.32	11.73	-15.86	1	4	0	51	374.484	6	↓ MOL2 SDF SMILES Flexibase

39262413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethylphenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide 2-(2,4-dimethylphenoxy)-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)	4.52	8.44	-16.78	1	5	0	60	348.402	5	↓ MOL2 SDF SMILES Flexibase

39262439

Analogs

24349230
13860723

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenoxy)-N-(3-methoxyphenyl)pyridine-3-carboxamide 2-(4-fluorophenoxy)-N-(3-methoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	7.31	-18.09	1	5	0	60	338.338	5	↓ MOL2 SDF SMILES Flexibase

39262447

Analogs

13860723

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenoxy)-N-(2-isopropylphenyl)pyridine-3-carboxamide 2-(4-fluorophenoxy)-N-(2-isoprop…

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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)	4.79	10.1	-13.63	1	4	0	51	350.393	5	↓ MOL2 SDF SMILES Flexibase

39262453

Analogs

13860723

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenoxy)-N-[4-[(1R)-1-methylpropyl]phenyl]pyridine-3-carboxamide 2-(4-fluorophenoxy)-N-[4-[(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)	5.65	10.59	-14.22	1	4	0	51	364.42	6	↓ MOL2 SDF SMILES Flexibase

39262455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenoxy)-N-[4-[(1S)-1-methylpropyl]phenyl]pyridine-3-carboxamide 2-(4-fluorophenoxy)-N-[4-[(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)	5.65	10.59	-14.25	1	4	0	51	364.42	6	↓ MOL2 SDF SMILES Flexibase

39262474

Analogs

58295415
13860723

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide 2-(4-fluorophenoxy)-N-(4-methoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	7.31	-16.06	1	5	0	60	338.338	5	↓ MOL2 SDF SMILES Flexibase

39262540

Analogs

24349230
29490359
27769735
25705043

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxyphenyl)-2-(4-methylphenoxy)pyridine-3-carboxamide N-(3-methoxyphenyl)-2-(4-methylp…

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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)	4.12	7.93	-20.05	1	5	0	60	334.375	5	↓ MOL2 SDF SMILES Flexibase

39262547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-isopropylphenyl)-2-(4-methylphenoxy)pyridine-3-carboxamide N-(2-isopropylphenyl)-2-(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)	5.07	10.77	-15.81	1	4	0	51	346.43	5	↓ MOL2 SDF SMILES Flexibase

39262553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methylphenoxy)-N-[4-[(1R)-1-methylpropyl]phenyl]pyridine-3-carboxamide 2-(4-methylphenoxy)-N-[4-[(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)	5.94	11.19	-16.06	1	4	0	51	360.457	6	↓ MOL2 SDF SMILES Flexibase

39262556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methylphenoxy)-N-[4-[(1S)-1-methylpropyl]phenyl]pyridine-3-carboxamide 2-(4-methylphenoxy)-N-[4-[(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)	5.94	11.19	-16.09	1	4	0	51	360.457	6	↓ MOL2 SDF SMILES Flexibase

39262579

Analogs

24926339
1036324

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-(4-methylphenoxy)pyridine-3-carboxamide N-(4-methoxyphenyl)-2-(4-methylp…

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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)	4.14	7.92	-16.96	1	5	0	60	334.375	5	↓ MOL2 SDF SMILES Flexibase

39262932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-2-(4-methylphenoxy)pyridine-3-carboxamide N-(4-ethoxyphenyl)-2-(4-methylph…

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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)	4.52	8.85	-17.76	1	5	0	60	348.402	6	↓ MOL2 SDF SMILES Flexibase

39262940

Analogs

28731508
31806671
1036324

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetamidophenyl)-2-(4-methylphenoxy)pyridine-3-carboxamide N-(4-acetamidophenyl)-2-(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)	3.30	7.53	-25.12	2	6	0	80	361.401	5	↓ MOL2 SDF SMILES Flexibase

39262942

Analogs

15085244

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-(4-methylphenoxy)pyridine-3-carboxamide N-(3-chloro-4-methoxy-phenyl)-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)	4.75	8.49	-19.99	1	5	0	60	368.82	5	↓ MOL2 SDF SMILES Flexibase

39262946

Analogs

1036324

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-(4-methylphenoxy)pyridine-3-carboxamide N-(4-fluorophenyl)-2-(4-methylph…

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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)	4.25	8.7	-16.38	1	4	0	51	322.339	4	↓ MOL2 SDF SMILES Flexibase

39262948

Analogs

970384
24349230
8329132
24926339

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-2-(4-methylphenoxy)pyridine-3-carboxamide N-(2,5-dimethoxyphenyl)-2-(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)	4.13	7.34	-18.78	1	6	0	70	364.401	6	↓ MOL2 SDF SMILES Flexibase

39262961

Analogs

41864065
41864121
32666244
1043285
21073655

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-carbamoylphenyl)-2-(4-methylphenoxy)pyridine-3-carboxamide N-(3-carbamoylphenyl)-2-(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)	2.88	5.42	-28.44	3	6	0	94	347.374	5	↓ MOL2 SDF SMILES Flexibase

39262965

Analogs

970386

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methylphenoxy)-N-(o-tolyl)pyridine-3-carboxamide 2-(4-methylphenoxy)-N-(o-tolyl)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)	4.48	9.53	-16.48	1	4	0	51	318.376	4	↓ MOL2 SDF SMILES Flexibase

39263025

Analogs

13860723

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide N-(4-ethoxyphenyl)-2-(4-fluoroph…

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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)	4.23	8.24	-15.95	1	5	0	60	352.365	6	↓ MOL2 SDF SMILES Flexibase

39263033

Analogs

13860723

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetamidophenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide N-(4-acetamidophenyl)-2-(4-fluor…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.02	6.86	-19.01	2	6	0	80	365.364	5	↓ MOL2 SDF SMILES Flexibase

39263035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide N-(3-chloro-4-methoxy-phenyl)-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)	4.46	7.87	-18.27	1	5	0	60	372.783	5	↓ MOL2 SDF SMILES Flexibase

39263037

Analogs

1036324

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide 2-(4-fluorophenoxy)-N-(4-fluorop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	8.06	-14.7	1	4	0	51	326.302	4	↓ MOL2 SDF SMILES Flexibase

39263039

Analogs

970384

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide N-(2,5-dimethoxyphenyl)-2-(4-flu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.84	6.72	-16.73	1	6	0	70	368.364	6	↓ MOL2 SDF SMILES Flexibase

39263052

Analogs

41864065
41864121
13860723

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-carbamoylphenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide N-(3-carbamoylphenyl)-2-(4-fluor…

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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)	2.59	4.8	-26.25	3	6	0	94	351.337	5	↓ MOL2 SDF SMILES Flexibase

39263056

Analogs

13860723

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenoxy)-N-(o-tolyl)pyridine-3-carboxamide 2-(4-fluorophenoxy)-N-(o-tolyl)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)	4.20	8.91	-14.67	1	4	0	51	322.339	4	↓ MOL2 SDF SMILES Flexibase

39263081

Analogs

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Popular Name: 2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)pyridine-3-carboxamide 2-(2,4-dimethylphenoxy)-N-(4-eth…

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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)	4.89	9.39	-17.52	1	5	0	60	362.429	6	↓ MOL2 SDF SMILES Flexibase

39263090

Analogs

28731508

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Popular Name: N-(4-acetamidophenyl)-2-(2,4-dimethylphenoxy)pyridine-3-carboxamide N-(4-acetamidophenyl)-2-(2,4-dim…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.68	8.04	-24.87	2	6	0	80	375.428	5	↓ MOL2 SDF SMILES Flexibase

39263092

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-(2,4-dimethylphenoxy)pyridine-3-carboxamide N-(3-chloro-4-methoxy-phenyl)-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)	5.12	9	-19.78	1	5	0	60	382.847	5	↓ MOL2 SDF SMILES Flexibase

39263094

Analogs

1036324

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethylphenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide 2-(2,4-dimethylphenoxy)-N-(4-flu…

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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)	4.62	9.22	-16.11	1	4	0	51	336.366	4	↓ MOL2 SDF SMILES Flexibase

39263096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-2-(2,4-dimethylphenoxy)pyridine-3-carboxamide N-(2,5-dimethoxyphenyl)-2-(2,4-d…

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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)	4.50	7.86	-18.59	1	6	0	70	378.428	6	↓ MOL2 SDF SMILES Flexibase

39263287

Analogs

15085244
1036324

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Popular Name: 2-(4-chlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide 2-(4-chlorophenoxy)-N-(4-fluorop…

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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)	4.48	8.51	-14.53	1	4	0	51	342.757	4	↓ MOL2 SDF SMILES Flexibase

39263860

Analogs

41864065
41864121
32666244

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Popular Name: N-(3-carbamoylphenyl)-2-(2,4-dimethylphenoxy)pyridine-3-carboxamide N-(3-carbamoylphenyl)-2-(2,4-dim…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.26	5.96	-28.19	3	6	0	94	361.401	5	↓ MOL2 SDF SMILES Flexibase

39263875

Analogs

1036324

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[3-(isopropylsulfonylamino)phenoxy]pyridine-3-carboxamide N-(4-fluorophenyl)-2-[3-(isoprop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.75	5.93	-19.98	2	7	0	97	429.473	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.75	6.45	-59.61	1	7	-1	99	428.465	7	↓ MOL2 SDF SMILES Flexibase

39263981

Analogs

970386

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethylphenoxy)-N-(o-tolyl)pyridine-3-carboxamide 2-(2,4-dimethylphenoxy)-N-(o-tol…

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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)	4.86	10.08	-16.27	1	4	0	51	332.403	4	↓ MOL2 SDF SMILES Flexibase

39264074

Analogs

4558360
13860723

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Popular Name: N-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide N-(4-chlorophenyl)-2-(4-fluoroph…

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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)	4.48	8.51	-14.09	1	4	0	51	342.757	4	↓ MOL2 SDF SMILES Flexibase

39264164

Analogs

52953018
4325281

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide 2-(2,4-dimethylphenoxy)-N-(3-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)	4.87	10.17	-19.41	1	4	0	51	364.47	5	↓ MOL2 SDF SMILES Flexibase

39264195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethylphenoxy)-N-(2-isopropylphenyl)pyridine-3-carboxamide 2-(2,4-dimethylphenoxy)-N-(2-iso…

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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)	5.45	11.3	-15.59	1	4	0	51	360.457	5	↓ MOL2 SDF SMILES Flexibase

39264328

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide 2-(4-methylphenoxy)-N-[3-(triflu…

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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)	4.96	9.64	-19.3	1	4	0	51	372.346	5	↓ MOL2 SDF SMILES Flexibase

39264358

Analogs

1036324

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[3-(isopropylcarbamoylamino)phenoxy]pyridine-3-carboxamide N-(4-fluorophenyl)-2-[3-(isoprop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	7.23	-25.55	3	7	0	92	408.433	6	↓ MOL2 SDF SMILES Flexibase

39264423

Analogs

52953018
4325281

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methylphenoxy)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide 2-(4-methylphenoxy)-N-(3-methyls…

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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)	4.49	9.66	-19.6	1	4	0	51	350.443	5	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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