ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

38602959

Analogs

38607706

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,4-dimethoxyphenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(2,4-dimethoxyphenyl)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)	1.74	5.78	-15.68	0	6	0	81	312.325	3	↓ MOL2 SDF SMILES Flexibase

38602960

Analogs

38602989
38603245
38603461
38603680
38607708

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-ethoxy-3-methoxy-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)	1.73	6.84	-15.72	0	6	0	81	326.352	4	↓ MOL2 SDF SMILES Flexibase

38602961

Analogs

38603248
38603463
38603681
38607710

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-allyloxyphenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(4-allyloxyphenyl)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)	2.40	7.92	-18.63	0	5	0	72	308.337	4	↓ MOL2 SDF SMILES Flexibase

38602963

Analogs

38602964
38603254
38603467
38603683
38607714

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1,4-dimethyl-2,6-dioxo-5-[(4-propoxyphenyl)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)	2.64	7.75	-14.43	0	5	0	72	310.353	4	↓ MOL2 SDF SMILES Flexibase

38602964

Analogs

38603256
38603469
38603684
38607715
38602963

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-butoxyphenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-butoxyphenyl)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)	3.20	8.53	-14.43	0	5	0	72	324.38	5	↓ MOL2 SDF SMILES Flexibase

38602965

Analogs

38602997
38603259
38603471
38603685
38607717

Draw Identity 99% 90% 80% 70%

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

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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)	3.00	9.34	-19.47	0	6	0	81	368.433	6	↓ MOL2 SDF SMILES Flexibase

38602966

Analogs

38602979
38603262
38603472
38603686
38607719

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-butoxy-3-methoxy-phenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-butoxy-3-methoxy-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)	2.79	8.42	-15.5	0	6	0	81	354.406	6	↓ MOL2 SDF SMILES Flexibase

38602967

Analogs

38602993
38603264
38603474
38603687
38607721

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-allyloxy-3-methoxy-phenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(4-allyloxy-3-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)	1.99	7.82	-20.01	0	6	0	81	338.363	5	↓ MOL2 SDF SMILES Flexibase

38602969

Analogs

38602973
38602983
38603270
38603478
38603689

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-methoxy-4-pentoxy-phenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(3-methoxy-4-pentoxy-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)	3.29	9.21	-15.44	0	6	0	81	368.433	7	↓ MOL2 SDF SMILES Flexibase

38602971

Analogs

38603272
38603480
38603690
38607726

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1,4-dimethyl-2,6-dioxo-5-[(4-pentoxyphenyl)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)	3.70	9.31	-14.43	0	5	0	72	338.407	6	↓ MOL2 SDF SMILES Flexibase

38602973

Analogs

38603273
38603482
38603691
38607728
38602969

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-hexoxy-3-methoxy-phenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-hexoxy-3-methoxy-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)	3.80	9.99	-15.42	0	6	0	81	382.46	8	↓ MOL2 SDF SMILES Flexibase

38602975

Analogs

38603276
38603484
38603692
38607730

Draw Identity 99% 90% 80% 70%

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

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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)	2.14	8.1	-18.4	0	4	0	63	298.367	2	↓ MOL2 SDF SMILES Flexibase

38602977

Analogs

38602979
38603279
38603486
38603693
38607731

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-ethoxy-4-propoxy-phenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(3-ethoxy-4-propoxy-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)	2.60	8.56	-15.27	0	6	0	81	354.406	6	↓ MOL2 SDF SMILES Flexibase

38602979

Analogs

38603282
38603488
38603694
38607733
38602966

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-butoxy-3-ethoxy-phenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-butoxy-3-ethoxy-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)	3.16	9.35	-15.26	0	6	0	81	368.433	7	↓ MOL2 SDF SMILES Flexibase

38602981

Analogs

38603023
38603285
38603490
38603695
38607735

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-ethoxy-4-isobutoxy-phenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(3-ethoxy-4-isobutoxy-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)	2.85	9.23	-15.18	0	6	0	81	368.433	6	↓ MOL2 SDF SMILES Flexibase

38602983

Analogs

38603287
38603491
38603696
38607737
38602969

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-ethoxy-4-pentoxy-phenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(3-ethoxy-4-pentoxy-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)	3.67	10.13	-15.22	0	6	0	81	382.46	8	↓ MOL2 SDF SMILES Flexibase

38602985

Analogs

38603291
38603495
38603698
38607740
16752934

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3,4-dimethoxyphenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(3,4-dimethoxyphenyl)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)	1.35	6.31	-20.1	0	6	0	81	312.325	3	↓ MOL2 SDF SMILES Flexibase

38602987

Analogs

38603294
38603497
38603699
38607742

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1,4-dimethyl-2,6-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]pyridine-3-carbonitrile (5Z)-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)	1.33	6.26	-22.61	0	7	0	91	342.351	4	↓ MOL2 SDF SMILES Flexibase

38602989

Analogs

38603297
38603499
38603700
38607744
38602960

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3,4-diethoxyphenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(3,4-diethoxyphenyl)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)	2.10	7.76	-15.53	0	6	0	81	340.379	5	↓ MOL2 SDF SMILES Flexibase

38602993

Analogs

38603303
38603503
38603702
38607748
38602967

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-allyloxy-3-ethoxy-phenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-allyloxy-3-ethoxy-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)	2.37	8.35	-15.72	0	6	0	81	352.39	6	↓ MOL2 SDF SMILES Flexibase

38602997

Analogs

38603306
38603505
38603703
38607750
38602965

Draw Identity 99% 90% 80% 70%

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

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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)	3.38	9.87	-15.16	0	6	0	81	382.46	7	↓ MOL2 SDF SMILES Flexibase

38603000

Analogs

38603309
38603507
38603704
38607752
16752931

Draw Identity 99% 90% 80% 70%

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

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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)	1.81	7.47	-17.45	0	5	0	66	295.342	2	↓ MOL2 SDF SMILES Flexibase

38603003

Analogs

38603314
38603511
38603706
38607756

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-ethoxyphenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-ethoxyphenyl)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)	2.13	6.95	-14.61	0	5	0	72	296.326	3	↓ MOL2 SDF SMILES Flexibase

38603023

Analogs

38603332
38603525
38603721
38607769
38602981

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-isobutoxy-3-methoxy-phenyl)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(4-isobutoxy-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)	2.47	8.7	-19.5	0	6	0	81	354.406	5	↓ MOL2 SDF SMILES Flexibase

38603245

Analogs

38603297
38603461
38603499
38603680
38603700

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-ethoxy-3-methoxy-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)	2.10	7.87	-15.47	0	6	0	81	340.379	5	↓ MOL2 SDF SMILES Flexibase

38603248

Analogs

38603463
38603681
38607710
38602961

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-allyloxyphenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-allyloxyphenyl)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)	2.78	8.56	-14.54	0	5	0	72	322.364	5	↓ MOL2 SDF SMILES Flexibase

38603254

Analogs

38603256
38603467
38603469
38603683
38603684

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-ethyl-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)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)	3.01	8.73	-14.21	0	5	0	72	324.38	5	↓ MOL2 SDF SMILES Flexibase

38603256

Analogs

38603467
38603469
38603683
38603684
38607714

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-butoxyphenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-butoxyphenyl)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)	3.57	9.51	-14.21	0	5	0	72	338.407	6	↓ MOL2 SDF SMILES Flexibase

38603259

Analogs

38603306
38603471
38603505
38603685
38603703

Draw Identity 99% 90% 80% 70%

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

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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)	3.38	9.98	-15.13	0	6	0	81	382.46	7	↓ MOL2 SDF SMILES Flexibase

38603262

Analogs

38603282
38603472
38603488
38603686
38603694

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-butoxy-3-methoxy-phenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-butoxy-3-methoxy-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)	3.16	9.4	-15.24	0	6	0	81	368.433	7	↓ MOL2 SDF SMILES Flexibase

38603264

Analogs

38603303
38603474
38603503
38603687
38603702

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-allyloxy-3-methoxy-phenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-allyloxy-3-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)	2.37	8.46	-15.64	0	6	0	81	352.39	6	↓ MOL2 SDF SMILES Flexibase

38603270

Analogs

38603273
38603287
38603478
38603482
38603491

Draw Identity 99% 90% 80% 70%

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

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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)	3.67	10.18	-15.22	0	6	0	81	382.46	8	↓ MOL2 SDF SMILES Flexibase

38603272

Analogs

38603480
38603690
38607726
38602971

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-ethyl-4-methyl-2,6-dioxo-5-[(4-pentoxyphenyl)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)	4.08	10.29	-14.15	0	5	0	72	352.434	7	↓ MOL2 SDF SMILES Flexibase

38603273

Analogs

38603478
38603482
38603689
38603691
38607724

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-ethyl-5-[(4-hexoxy-3-methoxy-phenyl)methylene]-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-1-ethyl-5-[(4-hexoxy-3-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)	4.17	10.97	-15.21	0	6	0	81	396.487	9	↓ MOL2 SDF SMILES Flexibase

38603276

Analogs

38603484
38603692
38607730
38602975

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-ethyl-4-methyl-5-[(4-methylsulfanylphenyl)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5E)-1-ethyl-4-methyl-5-[(4-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)	2.51	8.73	-14.16	0	4	0	63	312.394	3	↓ MOL2 SDF SMILES Flexibase

38603279

Analogs

38603282
38603486
38603488
38603693
38603694

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-ethoxy-4-propoxy-phenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(3-ethoxy-4-propoxy-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)	2.98	9.54	-15.16	0	6	0	81	368.433	7	↓ MOL2 SDF SMILES Flexibase

38603282

Analogs

38603472
38603486
38603488
38603686
38603693

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-butoxy-3-ethoxy-phenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-butoxy-3-ethoxy-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)	3.54	10.32	-15.14	0	6	0	81	382.46	8	↓ MOL2 SDF SMILES Flexibase

38603285

Analogs

38603332
38603490
38603525
38603695
38603721

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-ethoxy-4-isobutoxy-phenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(3-ethoxy-4-isobutoxy-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)	3.22	10.27	-14.85	0	6	0	81	382.46	7	↓ MOL2 SDF SMILES Flexibase

38603287

Analogs

38603478
38603491
38603689
38603696
38607724

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-ethoxy-4-pentoxy-phenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(3-ethoxy-4-pentoxy-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)	4.04	11.11	-15.1	0	6	0	81	396.487	9	↓ MOL2 SDF SMILES Flexibase

38603289

Analogs

38603493
38603697
38607738
16752925
16806499

Draw Identity 99% 90% 80% 70%

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

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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)	2.13	7.05	-14.55	0	5	0	72	296.326	3	↓ MOL2 SDF SMILES Flexibase

38603291

Analogs

38603495
38603698
38607740
38602985
16752934

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3,4-dimethoxyphenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(3,4-dimethoxyphenyl)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)	1.73	6.95	-15.7	0	6	0	81	326.352	4	↓ MOL2 SDF SMILES Flexibase

38603294

Analogs

38603497
38603699
38607742
38602987

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-ethyl-4-methyl-2,6-dioxo-5-[(3,4,5-trimethoxyphenyl)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)	1.71	6.9	-16.3	0	7	0	91	356.378	5	↓ MOL2 SDF SMILES Flexibase

38603297

Analogs

38603461
38603499
38603680
38603700
38607708

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3,4-diethoxyphenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(3,4-diethoxyphenyl)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)	2.48	8.8	-15.27	0	6	0	81	354.406	6	↓ MOL2 SDF SMILES Flexibase

38603303

Analogs

38603474
38603503
38603687
38603702
38607721

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-allyloxy-3-ethoxy-phenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-allyloxy-3-ethoxy-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)	2.75	9.38	-15.48	0	6	0	81	366.417	7	↓ MOL2 SDF SMILES Flexibase

38603306

Analogs

38603471
38603505
38603685
38603703
38607717

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.75	10.9	-14.97	0	6	0	81	396.487	8	↓ MOL2 SDF SMILES Flexibase

38603309

Analogs

38603507
38603704
38607752
38603000
16752922

Draw Identity 99% 90% 80% 70%

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

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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)	2.18	8.15	-14.2	0	5	0	66	309.369	3	↓ MOL2 SDF SMILES Flexibase

38603311

Analogs

38603509
38603705
38607754
16638802
3147514

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.93	10.02	-13.65	0	5	0	66	337.423	5	↓ MOL2 SDF SMILES Flexibase

38603314

Analogs

38603511
38603706
38607756
38603003

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-ethoxyphenyl)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(4-ethoxyphenyl)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)	2.51	7.98	-14.39	0	5	0	72	310.353	4	↓ MOL2 SDF SMILES Flexibase

38603332

Analogs

38603490
38603525
38603695
38603721
38607735

Draw Identity 99% 90% 80% 70%

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

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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	9.35	-15.08	0	6	0	81	368.433	6	↓ MOL2 SDF SMILES Flexibase

38603461

Analogs

38603499
38603680
38603700
38607708
38607744

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-4-methyl-2,6-dioxo-1-propyl-pyridine-3-carbonitrile (5E)-5-[(4-ethoxy-3-methoxy-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)	2.60	8.62	-15.4	0	6	0	81	354.406	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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