ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

39893337

Analogs

6351191
16693902

Draw Identity 99% 90% 80% 70%

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

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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	9.24	-19.85	1	6	0	84	365.433	4	↓ MOL2 SDF SMILES Flexibase

39893383

Analogs

13576960

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.29	10.57	-19.5	1	5	0	75	414.303	3	↓ MOL2 SDF SMILES Flexibase

39893405

Analogs

35686397
16693954

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	10.48	-20.76	1	5	0	75	369.852	3	↓ MOL2 SDF SMILES Flexibase

39893428

Analogs

3098616
5021824
3152986

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.31	11.35	-16.59	1	5	0	75	363.461	3	↓ MOL2 SDF SMILES Flexibase

39893452

Analogs

16693922

Draw Identity 99% 90% 80% 70%

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

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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	10.66	-25.26	1	8	0	121	380.404	4	↓ MOL2 SDF SMILES Flexibase

39893475

Analogs

16693958

Draw Identity 99% 90% 80% 70%

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

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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)	3.42	10.65	-28.66	1	8	0	121	380.404	4	↓ MOL2 SDF SMILES Flexibase

39893499

Analogs

9341789
13615697

Draw Identity 99% 90% 80% 70%

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

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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)	4.77	11.05	-18.3	1	5	0	75	404.297	3	↓ MOL2 SDF SMILES Flexibase

39893522

Analogs

16693856
16693924

Draw Identity 99% 90% 80% 70%

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

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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)	4.77	11.04	-21.41	1	5	0	75	404.297	3	↓ MOL2 SDF SMILES Flexibase

39893543

Analogs

16693968
9341789

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.11	10.54	-21.09	1	5	0	75	369.852	3	↓ MOL2 SDF SMILES Flexibase

39893566

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	11.01	-23.54	1	5	0	75	404.297	3	↓ MOL2 SDF SMILES Flexibase

39893590

Analogs

16693968
16693856

Draw Identity 99% 90% 80% 70%

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

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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	11.08	-16.39	1	5	0	75	404.297	3	↓ MOL2 SDF SMILES Flexibase

39893637

Analogs

3152988
6302564

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.88	10.84	-15.8	1	5	0	75	349.434	3	↓ MOL2 SDF SMILES Flexibase

39893685

Analogs

16693958
16693866

Draw Identity 99% 90% 80% 70%

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

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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	11.49	-23.34	1	8	0	121	394.431	4	↓ MOL2 SDF SMILES Flexibase

39893710

Analogs

9420960
3152988

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-cyclohexyl-4-methyl-2,6-dioxo-5-[[2-(trifluoromethyl)anilino]methylene]pyridine-3-carbonitril (5Z)-1-cyclohexyl-4-methyl-2,6-d…

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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	11.15	-23.54	1	5	0	75	403.404	4	↓ MOL2 SDF SMILES Flexibase

39893735

Analogs

16693922
16693958

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	11.38	-25.83	1	8	0	121	459.3	4	↓ MOL2 SDF SMILES Flexibase

39893758

Analogs

6844938
5021825
5021827

Draw Identity 99% 90% 80% 70%

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

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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)	3.93	10.8	-16.78	1	5	0	75	349.434	3	↓ MOL2 SDF SMILES Flexibase

39893807

Analogs

5031415
17123261

Draw Identity 99% 90% 80% 70%

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

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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)	3.60	10.05	-22.12	1	5	0	75	353.397	3	↓ MOL2 SDF SMILES Flexibase

39893828

Analogs

5031415
17123261
16694094

Draw Identity 99% 90% 80% 70%

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

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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)	3.65	10.02	-20.35	1	5	0	75	353.397	3	↓ MOL2 SDF SMILES Flexibase

39893896

Analogs

9341983

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	9.79	-23.09	1	6	0	84	399.878	4	↓ MOL2 SDF SMILES Flexibase

39893920

Analogs

8993686

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	10.67	-20.96	1	5	0	75	414.303	3	↓ MOL2 SDF SMILES Flexibase

39893943

Analogs

16693862

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	9.86	-18.94	1	6	0	84	399.878	4	↓ MOL2 SDF SMILES Flexibase

39893967

Analogs

2741892

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.54	11.22	-18.14	1	5	0	75	383.879	3	↓ MOL2 SDF SMILES Flexibase

39893990

Analogs

5021824
3152986
5021828

Draw Identity 99% 90% 80% 70%

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

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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)	3.91	10.79	-16.6	1	5	0	75	349.434	3	↓ MOL2 SDF SMILES Flexibase

39894015

Analogs

2741892

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.51	11.26	-16.81	1	5	0	75	383.879	3	↓ MOL2 SDF SMILES Flexibase

39894064

Analogs

5021819

Draw Identity 99% 90% 80% 70%

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

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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	8.66	-19.34	1	7	0	93	395.459	5	↓ MOL2 SDF SMILES Flexibase

39894087

Analogs

6425087

Draw Identity 99% 90% 80% 70%

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

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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	11.55	-22.42	1	8	0	121	394.431	4	↓ MOL2 SDF SMILES Flexibase

39894112

Analogs

8992182

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.31	11.51	-15.58	1	5	0	75	363.461	3	↓ MOL2 SDF SMILES Flexibase

39894139

Analogs

5247849

Draw Identity 99% 90% 80% 70%

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

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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	11.02	-19.51	1	9	0	130	424.457	6	↓ MOL2 SDF SMILES Flexibase

39894164

Analogs

6501724
16693975

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-cyclohexyl-4-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]methylene]-2,6-dioxo-pyridine-3-ca (5Z)-1-cyclohexyl-4-methyl-5-[[2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	11.88	-28.96	1	8	0	121	448.401	5	↓ MOL2 SDF SMILES Flexibase

39894184

Analogs

9419216
9419215
8993614

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	11.72	-22.22	1	7	0	101	407.47	6	↓ MOL2 SDF SMILES Flexibase

39894207

Analogs

9423066
9420214
8992025
9423161

Draw Identity 99% 90% 80% 70%

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

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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	9.24	-20.85	1	6	0	84	365.433	4	↓ MOL2 SDF SMILES Flexibase

39894230

Analogs

5021829
16693964

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	9.96	-18.48	1	5	0	75	335.407	3	↓ MOL2 SDF SMILES Flexibase

39894255

Analogs

9422971
5021819

Draw Identity 99% 90% 80% 70%

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

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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)	3.49	9.36	-20.97	1	6	0	84	365.433	4	↓ MOL2 SDF SMILES Flexibase

39894280

Analogs

5021826
6425087

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-cyclohexyl-4-methyl-5-[[4-nitro-3-(trifluoromethyl)anilino]methylene]-2,6-dioxo-pyridine-3-ca (5Z)-1-cyclohexyl-4-methyl-5-[[4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	11.41	-30.74	1	8	0	121	448.401	5	↓ MOL2 SDF SMILES Flexibase

39894304

Analogs

35686397
13576957

Draw Identity 99% 90% 80% 70%

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

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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)	4.77	10.92	-21.89	1	5	0	75	404.297	3	↓ MOL2 SDF SMILES Flexibase

39894326

Analogs

13576957
16693884

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.16	10.46	-19.57	1	5	0	75	369.852	3	↓ MOL2 SDF SMILES Flexibase

39894351

Analogs

16693958
22000545

Draw Identity 99% 90% 80% 70%

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

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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	11.55	-22.41	1	8	0	121	394.431	4	↓ MOL2 SDF SMILES Flexibase

39894375

Analogs

6351191
9422098

Draw Identity 99% 90% 80% 70%

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

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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)	3.92	10.35	-18.83	1	6	0	84	379.46	5	↓ MOL2 SDF SMILES Flexibase

39894398

Analogs

16693926

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	11.26	-26.2	1	8	0	121	414.849	4	↓ MOL2 SDF SMILES Flexibase

39894421

Analogs

5021826
8993313

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-cyclohexyl-4-methyl-2,6-dioxo-5-[[3-(trifluoromethyl)anilino]methylene]pyridine-3-carbonitril (5Z)-1-cyclohexyl-4-methyl-2,6-d…

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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	10.97	-22.74	1	5	0	75	403.404	4	↓ MOL2 SDF SMILES Flexibase

39894444

Analogs

16693948
9422641

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.27	10.57	-20.82	1	5	0	75	414.303	3	↓ MOL2 SDF SMILES Flexibase

39894467

Analogs

5021825
5021827
9061312
5021823
6844938

Draw Identity 99% 90% 80% 70%

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

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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	11.57	-16.73	1	5	0	75	363.461	4	↓ MOL2 SDF SMILES Flexibase

39894491

Analogs

6302564
3152988

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	11.39	-15.45	1	5	0	75	363.461	3	↓ MOL2 SDF SMILES Flexibase

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