ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

39893342

Analogs

16693904
6281139

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(2-furylmethyl)-5-[(4-methoxyanilino)methylene]-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-(2-furylmethyl)-5-[(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)	2.49	7.92	-23.6	1	7	0	97	363.373	5	↓ MOL2 SDF SMILES Flexibase

39893363

Analogs

16693975
6501724

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(2-furylmethyl)-4-methyl-5-[(2-nitroanilino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-(2-furylmethyl)-4-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)	2.34	9.55	-32.37	1	9	0	134	378.344	5	↓ MOL2 SDF SMILES Flexibase

39893386

Analogs

16693950
13576960

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-bromoanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-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)	3.24	9.25	-23.24	1	6	0	88	412.243	4	↓ MOL2 SDF SMILES Flexibase

39893408

Analogs

16693864

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-chloroanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-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)	3.08	9.16	-24.44	1	6	0	88	367.792	4	↓ MOL2 SDF SMILES Flexibase

39893431

Analogs

16267902
16693904

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3,4-dimethylanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-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)	3.26	10.04	-20.14	1	6	0	88	361.401	4	↓ MOL2 SDF SMILES Flexibase

39893455

Analogs

16693930
16693922

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(2-furylmethyl)-4-methyl-5-[(4-nitroanilino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-(2-furylmethyl)-4-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)	2.39	9.35	-29.32	1	9	0	134	378.344	5	↓ MOL2 SDF SMILES Flexibase

39893478

Analogs

16693868
16693958

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(2-furylmethyl)-4-methyl-5-[(3-nitroanilino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-(2-furylmethyl)-4-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)	2.36	9.34	-32.41	1	9	0	134	378.344	5	↓ MOL2 SDF SMILES Flexibase

39893502

Analogs

16693858
9341789
13615697

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,5-dichloroanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-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)	3.71	9.73	-21.84	1	6	0	88	402.237	4	↓ MOL2 SDF SMILES Flexibase

39893523

Analogs

16693858
16693924

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,4-dichloroanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-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)	3.71	9.73	-25.01	1	6	0	88	402.237	4	↓ MOL2 SDF SMILES Flexibase

39893546

Analogs

16693858
16693968

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-chloroanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-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)	3.06	9.22	-24.58	1	6	0	88	367.792	4	↓ MOL2 SDF SMILES Flexibase

39893570

Analogs

9341789
13615697

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,3-dichloroanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-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)	3.69	9.69	-27.09	1	6	0	88	402.237	4	↓ MOL2 SDF SMILES Flexibase

39893593

Analogs

16693858
16693968

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,6-dichloroanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-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)	3.69	9.77	-19.77	1	6	0	88	402.237	4	↓ MOL2 SDF SMILES Flexibase

39893640

Analogs

6281139
16693904

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-(2-furylmethyl)-4-methyl-5-[(2-methylanilino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5E)-1-(2-furylmethyl)-4-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)	2.83	9.54	-19.38	1	6	0	88	347.374	4	↓ MOL2 SDF SMILES Flexibase

39893688

Analogs

16693868
16693958

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-(2-furylmethyl)-4-methyl-5-[(4-methyl-3-nitro-anilino)methylene]-2,6-dioxo-pyridine-3-carboni (5E)-1-(2-furylmethyl)-4-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)	2.77	10.18	-27.26	1	9	0	134	392.371	5	↓ MOL2 SDF SMILES Flexibase

39893713

Analogs

6281139
9420960

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(2-furylmethyl)-4-methyl-2,6-dioxo-5-[[2-(trifluoromethyl)anilino]methylene]pyridine-3-carbon (5Z)-1-(2-furylmethyl)-4-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)	3.28	9.83	-26.87	1	6	0	88	401.344	5	↓ MOL2 SDF SMILES Flexibase

39893738

Analogs

16693930
16693950

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-bromo-4-nitro-anilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonit (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)	3.13	10.06	-29.64	1	9	0	134	457.24	5	↓ MOL2 SDF SMILES Flexibase

39893761

Analogs

16693904
6274493

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-(2-furylmethyl)-4-methyl-5-[(4-methylanilino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5E)-1-(2-furylmethyl)-4-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)	2.88	9.5	-20.36	1	6	0	88	347.374	4	↓ MOL2 SDF SMILES Flexibase

39893808

Analogs

16693900
9477191

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-fluoroanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(2-fluoroanilino)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)	2.55	8.73	-25.58	1	6	0	88	351.337	4	↓ MOL2 SDF SMILES Flexibase

39893831

Analogs

16693900
5031415

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-fluoroanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(4-fluoroanilino)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)	2.59	8.71	-24.19	1	6	0	88	351.337	4	↓ MOL2 SDF SMILES Flexibase

39893899

Analogs

9341983
8991520
16693864

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-chloro-4-methoxy-anilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbo (5Z)-5-[(3-chloro-4-methoxy-anil…

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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	8.48	-26.84	1	7	0	97	397.818	5	↓ MOL2 SDF SMILES Flexibase

39893921

Analogs

16693950
16267902

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-bromoanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(2-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)	3.19	9.35	-24.46	1	6	0	88	412.243	4	↓ MOL2 SDF SMILES Flexibase

39893946

Analogs

16693864

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(5-chloro-2-methoxy-anilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbo (5Z)-5-[(5-chloro-2-methoxy-anil…

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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	8.55	-22.46	1	7	0	97	397.818	5	↓ MOL2 SDF SMILES Flexibase

39893970

Analogs

2741892
16693864

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-chloro-4-methyl-anilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbon (5E)-5-[(3-chloro-4-methyl-anili…

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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	9.91	-21.64	1	6	0	88	381.819	4	↓ MOL2 SDF SMILES Flexibase

39893993

Analogs

16693904
5021824
3152986

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-(2-furylmethyl)-4-methyl-5-[(3-methylanilino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5E)-1-(2-furylmethyl)-4-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)	2.85	9.48	-20.15	1	6	0	88	347.374	4	↓ MOL2 SDF SMILES Flexibase

39894018

Analogs

16693864

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-chloro-2-methyl-anilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbon (5E)-5-[(3-chloro-2-methyl-anili…

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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)	3.46	9.95	-20.48	1	6	0	88	381.819	4	↓ MOL2 SDF SMILES Flexibase

39894067

Analogs

5021819
16693973

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,5-dimethoxyanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitril (5Z)-5-[(2,5-dimethoxyanilino)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)	2.47	7.34	-22.76	1	8	0	107	393.399	6	↓ MOL2 SDF SMILES Flexibase

39894090

Analogs

6425087
16693930

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-(2-furylmethyl)-4-methyl-5-[(2-methyl-4-nitro-anilino)methylene]-2,6-dioxo-pyridine-3-carboni (5E)-1-(2-furylmethyl)-4-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)	2.77	10.24	-26.21	1	9	0	134	392.371	5	↓ MOL2 SDF SMILES Flexibase

39894115

Analogs

6281139
8992182
16693904

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(2,5-dimethylanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(2,5-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)	3.26	10.2	-19.02	1	6	0	88	361.401	4	↓ MOL2 SDF SMILES Flexibase

39894142

Analogs

5247849
16693930

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-ethoxy-2-nitro-anilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carboni (5E)-5-[(4-ethoxy-2-nitro-anilin…

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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)	2.75	9.71	-23.39	1	10	0	143	422.397	7	↓ MOL2 SDF SMILES Flexibase

39894187

Analogs

5393423

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)	2.98	10.42	-25.91	1	8	0	114	405.41	7	↓ MOL2 SDF SMILES Flexibase

39894210

Analogs

16693904
9423684
9423161

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(2-furylmethyl)-5-[(3-methoxyanilino)methylene]-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-(2-furylmethyl)-5-[(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)	2.46	7.93	-24.44	1	7	0	97	363.373	5	↓ MOL2 SDF SMILES Flexibase

39894233

Analogs

16693904
16693973

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-(anilinomethylene)-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-(anilinomethylene)-1-(2-f…

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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)	2.43	8.64	-22.07	1	6	0	88	333.347	4	↓ MOL2 SDF SMILES Flexibase

39894258

Analogs

16693973
9422971
8991018

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(2-furylmethyl)-5-[(2-methoxyanilino)methylene]-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-(2-furylmethyl)-5-[(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)	2.44	8.05	-24.37	1	7	0	97	363.373	5	↓ MOL2 SDF SMILES Flexibase

39894283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(2-furylmethyl)-4-methyl-5-[[4-nitro-3-(trifluoromethyl)anilino]methylene]-2,6-dioxo-pyridine (5Z)-1-(2-furylmethyl)-4-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)	3.21	10.11	-34.87	1	9	0	134	446.341	6	↓ MOL2 SDF SMILES Flexibase

39894305

Analogs

16693864

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3,4-dichloroanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(3,4-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)	3.71	9.6	-25.68	1	6	0	88	402.237	4	↓ MOL2 SDF SMILES Flexibase

39894329

Analogs

16693858
13576957

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-chloroanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(4-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)	3.11	9.15	-23.37	1	6	0	88	367.792	4	↓ MOL2 SDF SMILES Flexibase

39894354

Analogs

16693868
16693958

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-(2-furylmethyl)-4-methyl-5-[(2-methyl-5-nitro-anilino)methylene]-2,6-dioxo-pyridine-3-carboni (5E)-1-(2-furylmethyl)-4-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)	2.77	10.24	-25.82	1	9	0	134	392.371	5	↓ MOL2 SDF SMILES Flexibase

39894378

Analogs

6351191
16693904

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-ethoxyanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-ethoxyanilino)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)	2.86	9.05	-22.39	1	7	0	97	377.4	6	↓ MOL2 SDF SMILES Flexibase

39894401

Analogs

16693926
15219205

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-chloro-4-nitro-anilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carboni (5Z)-5-[(2-chloro-4-nitro-anilin…

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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	9.94	-29.93	1	9	0	134	412.789	5	↓ MOL2 SDF SMILES Flexibase

39894424

Analogs

5021826
8993313
16693904

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(2-furylmethyl)-4-methyl-2,6-dioxo-5-[[3-(trifluoromethyl)anilino]methylene]pyridine-3-carbon (5Z)-1-(2-furylmethyl)-4-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)	3.30	9.65	-26.45	1	6	0	88	401.344	5	↓ MOL2 SDF SMILES Flexibase

39894447

Analogs

16693950
16693948

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-bromoanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(3-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)	3.21	9.25	-24.48	1	6	0	88	412.243	4	↓ MOL2 SDF SMILES Flexibase

39894470

Analogs

16693904
9061312
5021825

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-ethylanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-ethylanilino)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)	3.34	10.26	-20.3	1	6	0	88	361.401	5	↓ MOL2 SDF SMILES Flexibase

39894494

Analogs

6281139
16693904

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(2,6-dimethylanilino)methylene]-1-(2-furylmethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(2,6-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)	2.29	10.08	-18.9	1	6	0	88	361.401	4	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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