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ZINC Item

Suppliers, Protomers, & Similar Substances

39893345

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-methoxyanilino)methylene]-4-methyl-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5Z)-5-[(4-methoxyanilino)methyl…

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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)	3.44	10.56	-21.38	1	6	0	84	387.439	6	↓ MOL2 SDF SMILES Flexibase

39893346

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-methoxyanilino)methylene]-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine-3-carb (5Z)-5-[(4-methoxyanilino)methyl…

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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)	3.50	9.86	-22.14	1	7	0	93	417.465	7	↓ MOL2 SDF SMILES Flexibase

39893347

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methoxyanilino)methylene]-4-methyl-2,6-dioxo-pyridine-3- (5Z)-1-[2-(3,4-dimethoxyphenyl)e…

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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)	3.09	9.76	-24.79	1	8	0	103	447.491	8	↓ MOL2 SDF SMILES Flexibase

39893368

Analogs

16693975
6501724

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-5-[(2-nitroanilino)methylene]-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5Z)-4-methyl-5-[(2-nitroanilino…

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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)	3.29	12.19	-30.54	1	8	0	121	402.41	6	↓ MOL2 SDF SMILES Flexibase

39893369

Analogs

5247849
18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-5-[(2-nitroanilino)methylene]-2,6-dioxo-pyridine-3-carbon (5Z)-1-[2-(4-methoxyphenyl)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)	3.35	11.49	-31.28	1	9	0	130	432.436	7	↓ MOL2 SDF SMILES Flexibase

39893370

Analogs

5247849
6501724

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-5-[(2-nitroanilino)methylene]-2,6-dioxo-pyridine-3-ca (5Z)-1-[2-(3,4-dimethoxyphenyl)e…

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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)	2.94	11.38	-33.36	1	10	0	139	462.462	8	↓ MOL2 SDF SMILES Flexibase

39893391

Analogs

16282160
13576960

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-bromoanilino)methylene]-4-methyl-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5Z)-5-[(4-bromoanilino)methylen…

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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)	4.19	11.9	-21.08	1	5	0	75	436.309	5	↓ MOL2 SDF SMILES Flexibase

39893392

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-bromoanilino)methylene]-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine-3-carbon (5Z)-5-[(4-bromoanilino)methylen…

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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	11.2	-21.99	1	6	0	84	466.335	6	↓ MOL2 SDF SMILES Flexibase

39893393

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-bromoanilino)methylene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine-3-ca (5Z)-5-[(4-bromoanilino)methylen…

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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	11.1	-24.51	1	7	0	93	496.361	7	↓ MOL2 SDF SMILES Flexibase

39893410

Analogs

2741892
35686397

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-chloroanilino)methylene]-4-methyl-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5Z)-5-[(3-chloroanilino)methyle…

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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)	4.04	11.8	-22.32	1	5	0	75	391.858	5	↓ MOL2 SDF SMILES Flexibase

39893411

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-chloroanilino)methylene]-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine-3-carbo (5Z)-5-[(3-chloroanilino)methyle…

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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)	4.09	11.1	-23.08	1	6	0	84	421.884	6	↓ MOL2 SDF SMILES Flexibase

39893412

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-chloroanilino)methylene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine-3-c (5Z)-5-[(3-chloroanilino)methyle…

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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	11	-25.62	1	7	0	93	451.91	7	↓ MOL2 SDF SMILES Flexibase

39893434

Analogs

5021828
3098616
9061312

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3,4-dimethylanilino)methylene]-4-methyl-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5E)-5-[(3,4-dimethylanilino)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)	4.21	12.68	-17.96	1	5	0	75	385.467	5	↓ MOL2 SDF SMILES Flexibase

39893435

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3,4-dimethylanilino)methylene]-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine-3-c (5E)-5-[(3,4-dimethylanilino)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)	4.26	11.98	-18.81	1	6	0	84	415.493	6	↓ MOL2 SDF SMILES Flexibase

39893436

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3,4-dimethylanilino)methylene]-4-methyl-2,6-dioxo-pyridine (5E)-1-[2-(3,4-dimethoxyphenyl)e…

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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)	3.85	11.87	-21.28	1	7	0	93	445.519	7	↓ MOL2 SDF SMILES Flexibase

39893459

Analogs

16693922
5955784

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-5-[(4-nitroanilino)methylene]-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5Z)-4-methyl-5-[(4-nitroanilino…

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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)	3.34	11.99	-27.04	1	8	0	121	402.41	6	↓ MOL2 SDF SMILES Flexibase

39893460

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-5-[(4-nitroanilino)methylene]-2,6-dioxo-pyridine-3-carbon (5Z)-1-[2-(4-methoxyphenyl)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)	3.40	11.29	-27.95	1	9	0	130	432.436	7	↓ MOL2 SDF SMILES Flexibase

39893461

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-5-[(4-nitroanilino)methylene]-2,6-dioxo-pyridine-3-ca (5Z)-1-[2-(3,4-dimethoxyphenyl)e…

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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)	2.99	11.19	-30.68	1	10	0	139	462.462	8	↓ MOL2 SDF SMILES Flexibase

39893480

Analogs

16693958

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-5-[(3-nitroanilino)methylene]-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5Z)-4-methyl-5-[(3-nitroanilino…

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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)	3.32	11.98	-30.26	1	8	0	121	402.41	6	↓ MOL2 SDF SMILES Flexibase

39893481

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-5-[(3-nitroanilino)methylene]-2,6-dioxo-pyridine-3-carbon (5Z)-1-[2-(4-methoxyphenyl)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)	3.37	11.28	-31.15	1	9	0	130	432.436	7	↓ MOL2 SDF SMILES Flexibase

39893482

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-5-[(3-nitroanilino)methylene]-2,6-dioxo-pyridine-3-ca (5Z)-1-[2-(3,4-dimethoxyphenyl)e…

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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)	2.96	11.18	-33.6	1	10	0	139	462.462	8	↓ MOL2 SDF SMILES Flexibase

39893507

Analogs

9341789
13615697

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,5-dichloroanilino)methylene]-4-methyl-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5Z)-5-[(2,5-dichloroanilino)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)	4.67	12.38	-19.77	1	5	0	75	426.303	5	↓ MOL2 SDF SMILES Flexibase

39893508

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,5-dichloroanilino)methylene]-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine-3-c (5Z)-5-[(2,5-dichloroanilino)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)	4.72	11.68	-20.57	1	6	0	84	456.329	6	↓ MOL2 SDF SMILES Flexibase

39893509

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,5-dichloroanilino)methylene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine (5Z)-5-[(2,5-dichloroanilino)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)	4.31	11.58	-23.03	1	7	0	93	486.355	7	↓ MOL2 SDF SMILES Flexibase

39893528

Analogs

16693856
16693924

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,4-dichloroanilino)methylene]-4-methyl-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5Z)-5-[(2,4-dichloroanilino)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)	4.67	12.37	-22.95	1	5	0	75	426.303	5	↓ MOL2 SDF SMILES Flexibase

39893529

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,4-dichloroanilino)methylene]-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine-3-c (5Z)-5-[(2,4-dichloroanilino)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)	4.72	11.67	-23.73	1	6	0	84	456.329	6	↓ MOL2 SDF SMILES Flexibase

39893530

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,4-dichloroanilino)methylene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine (5Z)-5-[(2,4-dichloroanilino)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)	4.31	11.56	-26.15	1	7	0	93	486.355	7	↓ MOL2 SDF SMILES Flexibase

39893551

Analogs

16693968
9341789

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-chloroanilino)methylene]-4-methyl-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5Z)-5-[(2-chloroanilino)methyle…

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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)	4.01	11.87	-22.49	1	5	0	75	391.858	5	↓ MOL2 SDF SMILES Flexibase

39893552

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-chloroanilino)methylene]-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine-3-carbo (5Z)-5-[(2-chloroanilino)methyle…

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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)	4.07	11.17	-23.36	1	6	0	84	421.884	6	↓ MOL2 SDF SMILES Flexibase

39893553

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-chloroanilino)methylene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine-3-c (5Z)-5-[(2-chloroanilino)methyle…

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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)	3.66	11.07	-25.58	1	7	0	93	451.91	7	↓ MOL2 SDF SMILES Flexibase

39893574

Analogs

9341789
13615697

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,3-dichloroanilino)methylene]-4-methyl-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5Z)-5-[(2,3-dichloroanilino)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)	4.64	12.34	-25.07	1	5	0	75	426.303	5	↓ MOL2 SDF SMILES Flexibase

39893575

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,3-dichloroanilino)methylene]-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine-3-c (5Z)-5-[(2,3-dichloroanilino)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)	4.70	11.64	-25.85	1	6	0	84	456.329	6	↓ MOL2 SDF SMILES Flexibase

39893576

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,3-dichloroanilino)methylene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine (5Z)-5-[(2,3-dichloroanilino)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)	4.29	11.53	-28.16	1	7	0	93	486.355	7	↓ MOL2 SDF SMILES Flexibase

39893598

Analogs

16693856
16693924

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,6-dichloroanilino)methylene]-4-methyl-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5Z)-5-[(2,6-dichloroanilino)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)	4.64	12.41	-17.68	1	5	0	75	426.303	5	↓ MOL2 SDF SMILES Flexibase

39893599

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,6-dichloroanilino)methylene]-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine-3-c (5Z)-5-[(2,6-dichloroanilino)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)	4.70	11.71	-18.46	1	6	0	84	456.329	6	↓ MOL2 SDF SMILES Flexibase

39893600

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,6-dichloroanilino)methylene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine (5Z)-5-[(2,6-dichloroanilino)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)	4.29	11.6	-20.94	1	7	0	93	486.355	7	↓ MOL2 SDF SMILES Flexibase

39893643

Analogs

18180635
3152988

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-5-[(2-methylanilino)methylene]-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5E)-4-methyl-5-[(2-methylanilin…

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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)	3.78	12.17	-17.24	1	5	0	75	371.44	5	↓ MOL2 SDF SMILES Flexibase

39893644

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-5-[(2-methylanilino)methylene]-2,6-dioxo-pyridine-3-carbo (5E)-1-[2-(4-methoxyphenyl)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)	3.84	11.47	-18.08	1	6	0	84	401.466	6	↓ MOL2 SDF SMILES Flexibase

39893645

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-5-[(2-methylanilino)methylene]-2,6-dioxo-pyridine-3-c (5E)-1-[2-(3,4-dimethoxyphenyl)e…

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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)	3.43	11.37	-20.59	1	7	0	93	431.492	7	↓ MOL2 SDF SMILES Flexibase

39893693

Analogs

16693958
18180635

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-5-[(4-methyl-3-nitro-anilino)methylene]-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5E)-4-methyl-5-[(4-methyl-3-nit…

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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)	3.72	12.81	-24.95	1	8	0	121	416.437	6	↓ MOL2 SDF SMILES Flexibase

39893694

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-5-[(4-methyl-3-nitro-anilino)methylene]-2,6-dioxo-pyridin (5E)-1-[2-(4-methoxyphenyl)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)	3.77	12.11	-25.9	1	9	0	130	446.463	7	↓ MOL2 SDF SMILES Flexibase

39893695

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-5-[(4-methyl-3-nitro-anilino)methylene]-2,6-dioxo-pyr (5E)-1-[2-(3,4-dimethoxyphenyl)e…

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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)	3.36	12.01	-28.69	1	10	0	139	476.489	8	↓ MOL2 SDF SMILES Flexibase

39893718

Analogs

18180635

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-2,6-dioxo-1-phenethyl-5-[[2-(trifluoromethyl)anilino]methylene]pyridine-3-carbonitrile (5Z)-4-methyl-2,6-dioxo-1-phenet…

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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	12.48	-24.93	1	5	0	75	425.41	6	↓ MOL2 SDF SMILES Flexibase

39893719

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxo-5-[[2-(trifluoromethyl)anilino]methylene]pyridi (5Z)-1-[2-(4-methoxyphenyl)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)	4.29	11.78	-25.63	1	6	0	84	455.436	7	↓ MOL2 SDF SMILES Flexibase

39893720

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2,6-dioxo-5-[[2-(trifluoromethyl)anilino]methylene]py (5Z)-1-[2-(3,4-dimethoxyphenyl)e…

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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)	3.88	11.68	-27.9	1	7	0	93	485.462	8	↓ MOL2 SDF SMILES Flexibase

39893743

Analogs

16693922
5955784

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-bromo-4-nitro-anilino)methylene]-4-methyl-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5Z)-5-[(2-bromo-4-nitro-anilino…

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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)	4.08	12.71	-27.54	1	8	0	121	481.306	6	↓ MOL2 SDF SMILES Flexibase

39893744

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-bromo-4-nitro-anilino)methylene]-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxo-pyridine (5Z)-5-[(2-bromo-4-nitro-anilino…

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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	12.01	-28.47	1	9	0	130	511.332	7	↓ MOL2 SDF SMILES Flexibase

39893766

Analogs

9061312
5021827
5021825
18180635

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-5-[(4-methylanilino)methylene]-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile (5E)-4-methyl-5-[(4-methylanilin…

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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	12.13	-18.2	1	5	0	75	371.44	5	↓ MOL2 SDF SMILES Flexibase

39893767

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-5-[(4-methylanilino)methylene]-2,6-dioxo-pyridine-3-carbo (5E)-1-[2-(4-methoxyphenyl)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)	3.89	11.43	-19.09	1	6	0	84	401.466	6	↓ MOL2 SDF SMILES Flexibase

39893768

Analogs

18163642

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-5-[(4-methylanilino)methylene]-2,6-dioxo-pyridine-3-c (5E)-1-[2-(3,4-dimethoxyphenyl)e…

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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)	3.48	11.33	-21.61	1	7	0	93	431.492	7	↓ MOL2 SDF SMILES Flexibase

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