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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

38602845

Analogs

38602889
38602906
38602908
38607571

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitri 5-[[3-(4-ethoxyphenyl)-1-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)	3.46	11.45	-15.83	0	7	0	90	438.487	5	↓ MOL2 SDF SMILES Flexibase

38602847

Analogs

38602925
38603356
38603554
38607572

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(3-chloro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyrid (5Z)-5-[[3-(3-chloro-4-methoxy-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)	3.69	11.6	-21.34	0	7	0	90	458.905	4	↓ MOL2 SDF SMILES Flexibase

38602848

Analogs

38603358
38603556
38607574

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3- (5Z)-5-[[3-(3,4-dimethoxyphenyl)…

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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)	2.67	10.97	-21.87	0	8	0	99	454.486	5	↓ MOL2 SDF SMILES Flexibase

38602850

Analogs

38602866
38607576

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(1,3-diphenylpyrazol-4-y…

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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)	3.03	11.76	-18.66	0	6	0	81	394.434	3	↓ MOL2 SDF SMILES Flexibase

38602851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridi (5Z)-5-[[3-(3-bromo-4-methoxy-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)	3.82	11.73	-21.27	0	7	0	90	503.356	4	↓ MOL2 SDF SMILES Flexibase

38602854

Analogs

38607580

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbon (5Z)-5-[[3-(4-bromophenyl)-1-phe…

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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	12.38	-18.36	0	6	0	81	473.33	3	↓ MOL2 SDF SMILES Flexibase

38602857

Analogs

38607584

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carb (5Z)-5-[[3-(4-methoxyphenyl)-1-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)	3.08	11.06	-19.25	0	7	0	90	424.46	4	↓ MOL2 SDF SMILES Flexibase

38602858

Analogs

38603368
38603568
38607586

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridi (5Z)-5-[[3-(4-methoxy-3-nitro-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)	2.97	12.55	-28.12	0	10	0	136	469.457	5	↓ MOL2 SDF SMILES Flexibase

38602860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[(Z)-(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridylidene)methyl]-1-phenyl-pyrazol-3-yl]-N,N-dimethyl 4-[4-[(Z)-(5-cyano-1,4-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)	2.34	9.75	-25.42	0	9	0	118	501.568	5	↓ MOL2 SDF SMILES Flexibase

38602861

Analogs

38602889
38602892
38603123
38603408
38607588

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3 (5Z)-5-[[3-(4-isopentyloxyphenyl…

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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)	4.74	14.09	-18.66	0	7	0	90	480.568	7	↓ MOL2 SDF SMILES Flexibase

38602863

Analogs

38607590

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1,4-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-2,6-dioxo-pyridine-3-carbon (5Z)-1,4-dimethyl-5-[[3-(4-nitro…

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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	12.47	-22.04	0	9	0	127	439.431	4	↓ MOL2 SDF SMILES Flexibase

38602864

Analogs

38607592

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbo (5Z)-5-[[3-(4-fluorophenyl)-1-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)	3.19	11.82	-18.85	0	6	0	81	412.424	3	↓ MOL2 SDF SMILES Flexibase

38602866

Analogs

38607594
38602850

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1,4-dimethyl-2,6-dioxo-5-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]pyridine-3-carbonitrile (5E)-1,4-dimethyl-2,6-dioxo-5-[[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	11.89	-14.89	0	6	0	81	408.461	3	↓ MOL2 SDF SMILES Flexibase

38602867

Analogs

38603377
38603577
38607595

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1,4-dimethyl-5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-2,6-dioxo-pyridine-3-carbon (5Z)-1,4-dimethyl-5-[[3-(3-nitro…

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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	12.46	-25.62	0	9	0	127	439.431	4	↓ MOL2 SDF SMILES Flexibase

38602868

Analogs

38607597

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbo (5Z)-5-[[3-(4-chlorophenyl)-1-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)	3.71	12.28	-18.45	0	6	0	81	428.879	3	↓ MOL2 SDF SMILES Flexibase

38602870

Analogs

38607601

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-c (5E)-5-[[3-(2,5-dimethylphenyl)-…

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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	12.74	-14.18	0	6	0	81	422.488	3	↓ MOL2 SDF SMILES Flexibase

38602871

Analogs

38603386
38603584
38607603

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine- 5-[[3-(4-allyloxy-3-methyl-pheny…

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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)	4.11	12.78	-16.14	0	7	0	90	464.525	6	↓ MOL2 SDF SMILES Flexibase

38602872

Analogs

38602893
38602910
38603096
38603388
38603585

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-dimethyl-5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2,6-dioxo-pyridine-3 1,4-dimethyl-5-[[3-(3-methyl-4-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)	4.34	12.99	-15.79	0	7	0	90	466.541	6	↓ MOL2 SDF SMILES Flexibase

38602873

Analogs

38602889
38607607

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-ca (5Z)-5-[[3-(4-isobutoxyphenyl)-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)	4.21	13.48	-18.65	0	7	0	90	466.541	6	↓ MOL2 SDF SMILES Flexibase

38602877

Analogs

38603394
38603591
38604310
38607611

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(3-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyrid (5Z)-5-[[3-(3-fluoro-4-methoxy-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	11.13	-22.52	0	7	0	90	442.45	4	↓ MOL2 SDF SMILES Flexibase

38602879

Analogs

38602895
38603104
38603396
38603593
38607613

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridi (5E)-5-[[3-(4-ethoxy-2-methyl-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)	3.84	12.28	-15.49	0	7	0	90	452.514	5	↓ MOL2 SDF SMILES Flexibase

38602881

Analogs

38602897
38602946
38603106
38603128
38603398

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1,4-dimethyl-5-[[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2,6-dioxo-pyrid (5E)-1,4-dimethyl-5-[[3-(2-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)	4.34	13.07	-15.24	0	7	0	90	466.541	6	↓ MOL2 SDF SMILES Flexibase

38602883

Analogs

38602890
38603400
38603596
38604329
38607617

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-ethoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3- 5-[[3-(4-ethoxy-3-fluoro-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)	3.55	11.53	-17.32	0	7	0	90	456.477	5	↓ MOL2 SDF SMILES Flexibase

38602885

Analogs

38603401
38603598
38607619

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3 5-[[3-(4-methoxy-3-methyl-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)	3.46	11.26	-16.24	0	7	0	90	438.487	4	↓ MOL2 SDF SMILES Flexibase

38602887

Analogs

38603115
38603403
38607621

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitri 5-[[3-(4-hexoxyphenyl)-1-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)	5.53	14.59	-15.55	0	7	0	90	494.595	9	↓ MOL2 SDF SMILES Flexibase

38602889

Analogs

38602892
38603118
38603123
38603408
38607623

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-dimethyl-2,6-dioxo-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]pyridine-3-carbonitril 1,4-dimethyl-2,6-dioxo-5-[[1-phe…

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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	12.25	-15.59	0	7	0	90	452.514	6	↓ MOL2 SDF SMILES Flexibase

38602890

Analogs

38602919
38603121
38603161
38603407
38603430

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(3-fluoro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3 5-[[3-(3-fluoro-4-propoxy-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)	4.05	12.33	-17.03	0	7	0	90	470.504	6	↓ MOL2 SDF SMILES Flexibase

38602892

Analogs

38603118
38603123
38603408
38607588
38607623

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitri 5-[[3-(4-butoxyphenyl)-1-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)	4.52	13.03	-15.58	0	7	0	90	466.541	7	↓ MOL2 SDF SMILES Flexibase

38602893

Analogs

38603410
38603606
38607629
38602872

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-isobutoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine 5-[[3-(4-isobutoxy-3-methyl-phen…

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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)	4.58	13.68	-15.61	0	7	0	90	480.568	6	↓ MOL2 SDF SMILES Flexibase

38602895

Analogs

38603126
38603412
38603608
38607631
16741252

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyri (5E)-5-[[3-(4-allyloxy-2-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)	4.11	12.86	-15.6	0	7	0	90	464.525	6	↓ MOL2 SDF SMILES Flexibase

38602897

Analogs

38602946
38603106
38603128
38603398
38603414

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridi (5E)-5-[[3-(4-butoxy-2-methyl-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)	4.90	13.85	-15.24	0	7	0	90	480.568	7	↓ MOL2 SDF SMILES Flexibase

38602899

Analogs

38602904
38603420
38603616
38607638

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-isopropoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridin 5-[[3-(4-isopropoxy-3-methyl-phe…

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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	12.9	-16.61	0	7	0	90	466.541	5	↓ MOL2 SDF SMILES Flexibase

38602904

Analogs

38603422
38603618
38607640
38602899

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3- 5-[[3-(4-ethoxy-3-methyl-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)	3.84	12.19	-16.04	0	7	0	90	452.514	5	↓ MOL2 SDF SMILES Flexibase

38602906

Analogs

38603143
38607642
13037745
38602845
16741516

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-c (5Z)-5-[[3-(4-isopropoxyphenyl)-…

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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)	3.82	12.61	-19.27	0	7	0	90	452.514	5	↓ MOL2 SDF SMILES Flexibase

38602908

Analogs

38607644
38602845

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-car (5Z)-5-[[3-(4-allyloxyphenyl)-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)	3.73	12.57	-19.12	0	7	0	90	450.498	6	↓ MOL2 SDF SMILES Flexibase

38602910

Analogs

38603425
38607646
38602872

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-isopentyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyrid 5-[[3-(4-isopentyloxy-3-methyl-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)	5.11	14.3	-15.59	0	7	0	90	494.595	7	↓ MOL2 SDF SMILES Flexibase

38602912

Analogs

38603426
38603624
38604369
38607648
16741512

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(3-fluoro-4-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3- 5-[[3-(3-fluoro-4-methyl-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)	3.57	11.93	-15.24	0	6	0	81	426.451	3	↓ MOL2 SDF SMILES Flexibase

38602914

Analogs

38603154
38603427
38603626
38607649
16741507

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[3-(4-methoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyrid (5E)-5-[[3-(4-methoxy-2-methyl-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)	3.46	11.35	-15.68	0	7	0	90	438.487	4	↓ MOL2 SDF SMILES Flexibase

38602916

Analogs

38607651

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-car 5-[[3-(4-ethylsulfanylphenyl)-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)	3.84	13.09	-15.58	0	6	0	81	454.555	5	↓ MOL2 SDF SMILES Flexibase

38602918

Analogs

38602928
38603158
38603429
38607653
16741510

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-car 5-[[3-(4-butylsulfanylphenyl)-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)	4.90	14.67	-15.33	0	6	0	81	482.609	7	↓ MOL2 SDF SMILES Flexibase

38602919

Analogs

38603121
38603161
38603430
38603602
38603632

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3- 5-[[3-(4-butoxy-3-fluoro-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)	4.61	13.11	-17.03	0	7	0	90	484.531	7	↓ MOL2 SDF SMILES Flexibase

38602923

Analogs

38602927
38603168
38603172
38603432
38603434

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3- 5-[[3-(4-butoxy-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)	5.13	13.58	-15.99	0	7	0	90	500.986	7	↓ MOL2 SDF SMILES Flexibase

38602925

Analogs

38602927
38603433
38603636
38607660
38602847

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3- 5-[[3-(3-chloro-4-ethoxy-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)	4.07	12	-16.2	0	7	0	90	472.932	5	↓ MOL2 SDF SMILES Flexibase

38602927

Analogs

38603168
38603172
38603432
38603434
38603638

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3 5-[[3-(3-chloro-4-propoxy-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)	4.57	12.8	-16.01	0	7	0	90	486.959	6	↓ MOL2 SDF SMILES Flexibase

38602928

Analogs

38603175
38607663
38602918
16741510
16741527

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-dimethyl-2,6-dioxo-5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylene]pyridine-3-carb 1,4-dimethyl-2,6-dioxo-5-[[1-phe…

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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)	4.34	13.89	-15.34	0	6	0	81	468.582	6	↓ MOL2 SDF SMILES Flexibase

38602930

Analogs

38603436
38603642
38607665

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1,4-dimethyl-5-[[1-(4-nitrophenyl)-3-phenyl-pyrazol-4-yl]methylene]-2,6-dioxo-pyridine-3-carbon (5Z)-1,4-dimethyl-5-[[1-(4-nitro…

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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	12.47	-21.2	0	9	0	127	439.431	4	↓ MOL2 SDF SMILES Flexibase

38602938

Analogs

38602941
38603186
38603189
38603438
38603439

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1,4-dimethyl-2,6-dioxo-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylene]pyridine-3-carbon (5E)-1,4-dimethyl-2,6-dioxo-5-[[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	12.24	-16.82	0	7	0	90	452.514	6	↓ MOL2 SDF SMILES Flexibase

38602941

Analogs

38603186
38603189
38603439
38603646
38603648

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[3-(3-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbo (5E)-5-[[3-(3-butoxyphenyl)-1-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)	4.50	13.02	-16.79	0	7	0	90	466.541	7	↓ MOL2 SDF SMILES Flexibase

38602942

Analogs

38603440
38603650
38607672

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carb (5Z)-5-[[3-(3-methoxyphenyl)-1-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)	3.06	11.06	-20.88	0	7	0	90	424.46	4	↓ MOL2 SDF SMILES Flexibase

38602944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[(Z)-(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridylidene)methyl]-1-phenyl-pyrazol-3-yl]-N,N-dimethyl 3-[4-[(Z)-(5-cyano-1,4-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)	2.32	9.75	-27.36	0	9	0	118	501.568	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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