ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

38602962

Analogs

38603006
38603251
38603465
38603682
38607712

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-benzyloxyphenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(4-benzyloxyphenyl)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)	3.35	10.39	-19.62	0	5	0	72	358.397	4	↓ MOL2 SDF SMILES Flexibase

38602968

Analogs

38602991
38603039
38603267
38603476
38603688

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-benzyloxy-3-methoxy-phenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(4-benzyloxy-3-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)	2.94	10.29	-21.07	0	6	0	81	388.423	5	↓ MOL2 SDF SMILES Flexibase

38602991

Analogs

38603026
38603300
38603501
38603701
38607746

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-benzyloxy-3-ethoxy-phenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-benzyloxy-3-ethoxy-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)	3.32	10.82	-16.97	0	6	0	81	402.45	6	↓ MOL2 SDF SMILES Flexibase

38603006

Analogs

38603316
38603513
38603708
38607758
38602962

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1,4-dimethyl-2,6-dioxo-5-[[4-(p-tolylmethoxy)phenyl]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)	3.80	10.68	-16.11	0	5	0	72	372.424	4	↓ MOL2 SDF SMILES Flexibase

38603009

Analogs

38603319
38603515
38603710
38607760

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[[4-[(4-fluorophenyl)meth…

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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)	3.52	10.46	-20.63	0	5	0	72	376.387	4	↓ MOL2 SDF SMILES Flexibase

38603011

Analogs

38603321
38603517
38603712
38607762

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[[4-[(4-chlorophenyl)meth…

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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)	4.03	10.91	-20.01	0	5	0	72	392.842	4	↓ MOL2 SDF SMILES Flexibase

38603014

Analogs

38603323
38603519
38603714
38607764

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[[4-[(2-fluorophenyl)meth…

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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)	3.47	10.54	-18.81	0	5	0	72	376.387	4	↓ MOL2 SDF SMILES Flexibase

38603017

Analogs

38603326
38603521
38603716
38607766

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[[4-[(2-chlorophenyl)meth…

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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	10.96	-18.59	0	5	0	72	392.842	4	↓ MOL2 SDF SMILES Flexibase

38603020

Analogs

38603329
38603523
38603718
38607768

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonit (5Z)-5-[[4-[(2,4-dichlorophenyl)…

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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	11.47	-18.07	0	5	0	72	427.287	4	↓ MOL2 SDF SMILES Flexibase

38603024

Analogs

38603044
38603334
38603527
38603722
38607771

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-c (5Z)-5-[[4-[(4-chlorophenyl)meth…

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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)	3.62	10.81	-20.81	0	6	0	81	422.868	5	↓ MOL2 SDF SMILES Flexibase

38603026

Analogs

38603039
38603336
38603529
38603724
38607773

Draw Identity 99% 90% 80% 70%

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

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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	11.49	-16.93	0	6	0	81	416.477	6	↓ MOL2 SDF SMILES Flexibase

38603029

Analogs

38603041
38603338
38603531
38603726
38607775

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-car (5E)-5-[[3-ethoxy-4-[(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)	3.48	10.89	-18.03	0	6	0	81	420.44	6	↓ MOL2 SDF SMILES Flexibase

38603032

Analogs

38603053
38603339
38603533
38603728
38607777

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-c (5Z)-5-[[4-[(2-fluorophenyl)meth…

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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	10.39	-20.88	0	6	0	81	406.413	5	↓ MOL2 SDF SMILES Flexibase

38603034

Analogs

38603047
38603341
38603348
38603535
38603546

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-ca (5E)-5-[[4-[(2-chlorophenyl)meth…

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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)	3.95	11.35	-15.95	0	6	0	81	436.895	6	↓ MOL2 SDF SMILES Flexibase

38603036

Analogs

38603050
38603342
38603350
38603537
38603548

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine- (5E)-5-[[4-[(2,4-dichlorophenyl)…

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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)	4.60	11.86	-15.64	0	6	0	81	471.34	6	↓ MOL2 SDF SMILES Flexibase

38603039

Analogs

38603344
38603539
38603732
38607783
38602968

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitril (5E)-5-[[3-methoxy-4-(p-tolylmet…

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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)	3.39	10.57	-17.06	0	6	0	81	402.45	5	↓ MOL2 SDF SMILES Flexibase

38603041

Analogs

38603346
38603541
38603734
38607785
38603029

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-c (5Z)-5-[[4-[(4-fluorophenyl)meth…

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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	10.36	-21.35	0	6	0	81	406.413	5	↓ MOL2 SDF SMILES Flexibase

38603044

Analogs

38603347
38603543
38603736
38607787
38603024

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-ca (5E)-5-[[4-[(4-chlorophenyl)meth…

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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)	4.00	11.34	-17.45	0	6	0	81	436.895	6	↓ MOL2 SDF SMILES Flexibase

38603047

Analogs

38603341
38603348
38603535
38603546
38603729

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-c (5Z)-5-[[4-[(2-chlorophenyl)meth…

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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	10.82	-20.37	0	6	0	81	422.868	5	↓ MOL2 SDF SMILES Flexibase

38603050

Analogs

38603342
38603350
38603537
38603548
38603731

Draw Identity 99% 90% 80% 70%

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

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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	11.33	-19.34	0	6	0	81	457.313	5	↓ MOL2 SDF SMILES Flexibase

38603053

Analogs

38603352
38603550
38603742
38607793
38603032

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-car (5E)-5-[[3-ethoxy-4-[(2-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)	3.44	10.93	-16.35	0	6	0	81	420.44	6	↓ MOL2 SDF SMILES Flexibase

38603251

Analogs

38603316
38603465
38603513
38603682
38603708

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-benzyloxyphenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-benzyloxyphenyl)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)	3.73	11.03	-15.77	0	5	0	72	372.424	5	↓ MOL2 SDF SMILES Flexibase

38603267

Analogs

38603300
38603344
38603476
38603501
38603539

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-benzyloxy-3-methoxy-phenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-benzyloxy-3-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)	3.32	10.93	-16.86	0	6	0	81	402.45	6	↓ MOL2 SDF SMILES Flexibase

38603300

Analogs

38603336
38603501
38603529
38603701
38603724

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-benzyloxy-3-ethoxy-phenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-benzyloxy-3-ethoxy-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)	3.70	11.85	-16.68	0	6	0	81	416.477	7	↓ MOL2 SDF SMILES Flexibase

38603316

Analogs

38603465
38603513
38603682
38603708
38607712

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-ethyl-4-methyl-2,6-dioxo-5-[[4-(p-tolylmethoxy)phenyl]methylene]pyridine-3-carbonitrile (5E)-1-ethyl-4-methyl-2,6-dioxo-…

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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)	4.18	11.71	-15.83	0	5	0	72	386.451	5	↓ MOL2 SDF SMILES Flexibase

38603319

Analogs

38603515
38603710
38607760
38603009

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-ethyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylene]-4-methyl-2,6-dioxo-pyridine-3-carbonit (5E)-1-ethyl-5-[[4-[(4-fluorophe…

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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	11.1	-17.33	0	5	0	72	390.414	5	↓ MOL2 SDF SMILES Flexibase

38603321

Analogs

38603517
38603712
38607762
38603011

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonit (5E)-5-[[4-[(4-chlorophenyl)meth…

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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)	4.41	11.55	-16.62	0	5	0	72	406.869	5	↓ MOL2 SDF SMILES Flexibase

38603323

Analogs

38603519
38603714
38607764
38603014

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-ethyl-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylene]-4-methyl-2,6-dioxo-pyridine-3-carbonit (5E)-1-ethyl-5-[[4-[(2-fluorophe…

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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	11.18	-15.25	0	5	0	72	390.414	5	↓ MOL2 SDF SMILES Flexibase

38603326

Analogs

38603521
38603716
38607766
38603017

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonit (5E)-5-[[4-[(2-chlorophenyl)meth…

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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)	4.36	11.6	-14.9	0	5	0	72	406.869	5	↓ MOL2 SDF SMILES Flexibase

38603329

Analogs

38603523
38603718
38607768
38603020

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carb (5E)-5-[[4-[(2,4-dichlorophenyl)…

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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)	5.01	12.11	-15.05	0	5	0	72	441.314	5	↓ MOL2 SDF SMILES Flexibase

38603334

Analogs

38603347
38603527
38603543
38603722
38603736

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine (5E)-5-[[4-[(4-chlorophenyl)meth…

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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)	4.00	11.45	-17.32	0	6	0	81	436.895	6	↓ MOL2 SDF SMILES Flexibase

38603336

Analogs

38603344
38603501
38603529
38603539
38603701

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[3-ethoxy-4-(p-tolylmethoxy)phenyl]methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonit (5E)-5-[[3-ethoxy-4-(p-tolylmeth…

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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	12.53	-16.69	0	6	0	81	430.504	7	↓ MOL2 SDF SMILES Flexibase

38603338

Analogs

38603346
38603531
38603541
38603726
38603734

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3 (5E)-5-[[3-ethoxy-4-[(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)	3.86	11.92	-17.79	0	6	0	81	434.467	7	↓ MOL2 SDF SMILES Flexibase

38603339

Analogs

38603352
38603533
38603550
38603728
38603742

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-ethyl-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylene]-4-methyl-2,6-dioxo-pyridine (5E)-1-ethyl-5-[[4-[(2-fluorophe…

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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	11.04	-16.36	0	6	0	81	420.44	6	↓ MOL2 SDF SMILES Flexibase

38603341

Analogs

38603348
38603535
38603546
38603729
38603738

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine- (5E)-5-[[4-[(2-chlorophenyl)meth…

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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)	4.33	12.38	-15.68	0	6	0	81	450.922	7	↓ MOL2 SDF SMILES Flexibase

38603342

Analogs

38603350
38603537
38603548
38603731
38603740

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-1-ethyl-4-methyl-2,6-dioxo-pyrid (5E)-5-[[4-[(2,4-dichlorophenyl)…

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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)	4.98	12.89	-15.4	0	6	0	81	485.367	7	↓ MOL2 SDF SMILES Flexibase

38603344

Analogs

38603529
38603539
38603724
38603732
38607773

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-ethyl-5-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methylene]-4-methyl-2,6-dioxo-pyridine-3-carboni (5E)-1-ethyl-5-[[3-methoxy-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)	3.77	11.61	-16.83	0	6	0	81	416.477	6	↓ MOL2 SDF SMILES Flexibase

38603346

Analogs

38603531
38603541
38603726
38603734
38607775

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-ethyl-5-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylene]-4-methyl-2,6-dioxo-pyridine (5E)-1-ethyl-5-[[4-[(4-fluorophe…

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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	-17.9	0	6	0	81	420.44	6	↓ MOL2 SDF SMILES Flexibase

38603347

Analogs

38603527
38603543
38603722
38603736
38607771

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine- (5E)-5-[[4-[(4-chlorophenyl)meth…

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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)	4.37	12.37	-17.09	0	6	0	81	450.922	7	↓ MOL2 SDF SMILES Flexibase

38603348

Analogs

38603535
38603546
38603729
38603738
38607779

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine (5E)-5-[[4-[(2-chlorophenyl)meth…

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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)	3.95	11.46	-15.98	0	6	0	81	436.895	6	↓ MOL2 SDF SMILES Flexibase

38603350

Analogs

38603537
38603548
38603731
38603740
38607781

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-1-ethyl-4-methyl-2,6-dioxo-pyri (5E)-5-[[4-[(2,4-dichlorophenyl)…

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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)	4.60	11.97	-15.64	0	6	0	81	471.34	6	↓ MOL2 SDF SMILES Flexibase

38603352

Analogs

38603533
38603550
38603728
38603742
38607777

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3 (5E)-5-[[3-ethoxy-4-[(2-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)	3.81	11.96	-16.14	0	6	0	81	434.467	7	↓ MOL2 SDF SMILES Flexibase

38603465

Analogs

38603513
38603682
38603708
38607712
38607758

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-benzyloxyphenyl)methylene]-4-methyl-2,6-dioxo-1-propyl-pyridine-3-carbonitrile (5E)-5-[(4-benzyloxyphenyl)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)	4.23	11.78	-15.7	0	5	0	72	386.451	6	↓ MOL2 SDF SMILES Flexibase

38603476

Analogs

38603501
38603539
38603688
38603701
38607722

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-benzyloxy-3-methoxy-phenyl)methylene]-4-methyl-2,6-dioxo-1-propyl-pyridine-3-carbonitrile (5E)-5-[(4-benzyloxy-3-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)	3.82	11.68	-16.7	0	6	0	81	416.477	7	↓ MOL2 SDF SMILES Flexibase

38603501

Analogs

38603529
38603688
38603701
38603724
38607722

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-benzyloxy-3-ethoxy-phenyl)methylene]-4-methyl-2,6-dioxo-1-propyl-pyridine-3-carbonitrile (5E)-5-[(4-benzyloxy-3-ethoxy-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)	4.20	12.6	-16.57	0	6	0	81	430.504	8	↓ MOL2 SDF SMILES Flexibase

38603513

Analogs

38603682
38603708
38607712
38607758
38603006

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-2,6-dioxo-1-propyl-5-[[4-(p-tolylmethoxy)phenyl]methylene]pyridine-3-carbonitrile (5E)-4-methyl-2,6-dioxo-1-propyl…

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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)	4.68	12.46	-15.73	0	5	0	72	400.478	6	↓ MOL2 SDF SMILES Flexibase

38603515

Analogs

38603710
38607760
38603009
38603319

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylene]-4-methyl-2,6-dioxo-1-propyl-pyridine-3-carboni (5E)-5-[[4-[(4-fluorophenyl)meth…

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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)	4.40	11.85	-17.26	0	5	0	72	404.441	6	↓ MOL2 SDF SMILES Flexibase

38603517

Analogs

38603712
38607762
38603011
38603321

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylene]-4-methyl-2,6-dioxo-1-propyl-pyridine-3-carboni (5E)-5-[[4-[(4-chlorophenyl)meth…

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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)	4.91	12.3	-16.53	0	5	0	72	420.896	6	↓ MOL2 SDF SMILES Flexibase

38603519

Analogs

38603714
38607764
38603014
38603323

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylene]-4-methyl-2,6-dioxo-1-propyl-pyridine-3-carboni (5E)-5-[[4-[(2-fluorophenyl)meth…

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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)	4.35	11.93	-15.12	0	5	0	72	404.441	6	↓ MOL2 SDF SMILES Flexibase

38603521

Analogs

38603716
38607766
38603017
38603326

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylene]-4-methyl-2,6-dioxo-1-propyl-pyridine-3-carboni (5E)-5-[[4-[(2-chlorophenyl)meth…

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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	12.35	-14.74	0	5	0	72	420.896	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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