ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

39893336

Analogs

6351191
16693902

Draw Identity 99% 90% 80% 70%

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

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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	8.57	-19.65	1	6	0	84	351.406	4	↓ MOL2 SDF SMILES Flexibase

39893360

Analogs

16693975

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-cyclopentyl-4-methyl-5-[(2-nitroanilino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-cyclopentyl-4-methyl-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)	2.89	10.35	-28.26	1	8	0	121	366.377	4	↓ MOL2 SDF SMILES Flexibase

39893382

Analogs

13576960

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.79	9.9	-19.25	1	5	0	75	400.276	3	↓ MOL2 SDF SMILES Flexibase

39893404

Analogs

35686397
16693954

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	9.86	-21.01	1	5	0	75	355.825	3	↓ MOL2 SDF SMILES Flexibase

39893427

Analogs

3098616
5021824
3152986

Draw Identity 99% 90% 80% 70%

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

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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	10.75	-17.84	1	5	0	75	349.434	3	↓ MOL2 SDF SMILES Flexibase

39893451

Analogs

16693922

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-cyclopentyl-4-methyl-5-[(4-nitroanilino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-cyclopentyl-4-methyl-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)	2.94	9.99	-25.14	1	8	0	121	366.377	4	↓ MOL2 SDF SMILES Flexibase

39893474

Analogs

16693958

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-cyclopentyl-4-methyl-5-[(3-nitroanilino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-cyclopentyl-4-methyl-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)	2.91	10.04	-28.92	1	8	0	121	366.377	4	↓ MOL2 SDF SMILES Flexibase

39893498

Analogs

9341789
13615697

Draw Identity 99% 90% 80% 70%

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

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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	10.39	-18.11	1	5	0	75	390.27	3	↓ MOL2 SDF SMILES Flexibase

39893521

Analogs

16693856
16693924

Draw Identity 99% 90% 80% 70%

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

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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	10.43	-21.52	1	5	0	75	390.27	3	↓ MOL2 SDF SMILES Flexibase

39893542

Analogs

16693968
9341789

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.61	9.92	-20.97	1	5	0	75	355.825	3	↓ MOL2 SDF SMILES Flexibase

39893565

Analogs

9341789
13615697

Draw Identity 99% 90% 80% 70%

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

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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	10.39	-23.41	1	5	0	75	390.27	3	↓ MOL2 SDF SMILES Flexibase

39893589

Analogs

16693968
16693856

Draw Identity 99% 90% 80% 70%

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

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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	10.41	-16.2	1	5	0	75	390.27	3	↓ MOL2 SDF SMILES Flexibase

39893636

Analogs

3152988
6302564

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-cyclopentyl-4-methyl-5-[(2-methylanilino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5E)-1-cyclopentyl-4-methyl-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)	3.38	10.32	-17.2	1	5	0	75	335.407	3	↓ MOL2 SDF SMILES Flexibase

39893684

Analogs

16693958
16693866

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-cyclopentyl-4-methyl-5-[(4-methyl-3-nitro-anilino)methylene]-2,6-dioxo-pyridine-3-carbonitril (5E)-1-cyclopentyl-4-methyl-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)	3.31	10.88	-24.23	1	8	0	121	380.404	4	↓ MOL2 SDF SMILES Flexibase

39893709

Analogs

9420960
3152988

Draw Identity 99% 90% 80% 70%

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

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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	10.51	-23.04	1	5	0	75	389.377	4	↓ MOL2 SDF SMILES Flexibase

39893734

Analogs

16693922
16693958

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-bromo-4-nitro-anilino)methylene]-1-cyclopentyl-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)	3.67	10.71	-25.66	1	8	0	121	445.273	4	↓ MOL2 SDF SMILES Flexibase

39893757

Analogs

6844938
5021825
5021827

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-cyclopentyl-4-methyl-5-[(4-methylanilino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5E)-1-cyclopentyl-4-methyl-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)	3.43	10.13	-16.66	1	5	0	75	335.407	3	↓ MOL2 SDF SMILES Flexibase

39893806

Analogs

9477191
5031415
17123261

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	9.43	-21.93	1	5	0	75	339.37	3	↓ MOL2 SDF SMILES Flexibase

39893827

Analogs

5031415
17123261
16694094

Draw Identity 99% 90% 80% 70%

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

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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)	3.14	9.35	-20.12	1	5	0	75	339.37	3	↓ MOL2 SDF SMILES Flexibase

39893895

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	9.13	-22.88	1	6	0	84	385.851	4	↓ MOL2 SDF SMILES Flexibase

39893919

Analogs

8993686

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	10.05	-20.76	1	5	0	75	400.276	3	↓ MOL2 SDF SMILES Flexibase

39893942

Analogs

16693862

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	9.26	-19.11	1	6	0	84	385.851	4	↓ MOL2 SDF SMILES Flexibase

39893966

Analogs

2741892

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-chloro-4-methyl-anilino)methylene]-1-cyclopentyl-4-methyl-2,6-dioxo-pyridine-3-carbonitri (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)	4.03	10.63	-19.22	1	5	0	75	369.852	3	↓ MOL2 SDF SMILES Flexibase

39893989

Analogs

5021824
3152986
5021828

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-cyclopentyl-4-methyl-5-[(3-methylanilino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5E)-1-cyclopentyl-4-methyl-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)	3.40	10.2	-17.87	1	5	0	75	335.407	3	↓ MOL2 SDF SMILES Flexibase

39894014

Analogs

2741892

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-chloro-2-methyl-anilino)methylene]-1-cyclopentyl-4-methyl-2,6-dioxo-pyridine-3-carbonitri (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)	4.01	10.59	-16.65	1	5	0	75	369.852	3	↓ MOL2 SDF SMILES Flexibase

39894063

Analogs

5021819
9422241

Draw Identity 99% 90% 80% 70%

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

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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)	3.02	8.04	-19.39	1	7	0	93	381.432	5	↓ MOL2 SDF SMILES Flexibase

39894086

Analogs

6425087

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-cyclopentyl-4-methyl-5-[(2-methyl-4-nitro-anilino)methylene]-2,6-dioxo-pyridine-3-carbonitril (5E)-1-cyclopentyl-4-methyl-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)	3.31	10.88	-22.24	1	8	0	121	380.404	4	↓ MOL2 SDF SMILES Flexibase

39894111

Analogs

8992182

Draw Identity 99% 90% 80% 70%

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

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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	10.84	-15.33	1	5	0	75	349.434	3	↓ MOL2 SDF SMILES Flexibase

39894138

Analogs

5247849

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.30	10.44	-20.4	1	9	0	130	410.43	6	↓ MOL2 SDF SMILES Flexibase

39894163

Analogs

6501724
16693975

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-cyclopentyl-4-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]methylene]-2,6-dioxo-pyridine-3-c (5Z)-1-cyclopentyl-4-methyl-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)	3.76	11.21	-28.7	1	8	0	121	434.374	5	↓ MOL2 SDF SMILES Flexibase

39894183

Analogs

9419216
9419215
8993613

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)	3.52	11.05	-22.02	1	7	0	101	393.443	6	↓ MOL2 SDF SMILES Flexibase

39894206

Analogs

9423066
9423684
9420214
8992025

Draw Identity 99% 90% 80% 70%

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

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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	8.64	-20.95	1	6	0	84	351.406	4	↓ MOL2 SDF SMILES Flexibase

39894229

Analogs

5021829
16693964

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-(anilinomethylene)-1-cyclopentyl-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)	2.98	9.29	-18.22	1	5	0	75	321.38	3	↓ MOL2 SDF SMILES Flexibase

39894254

Analogs

9422971
5021819
9422020

Draw Identity 99% 90% 80% 70%

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

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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	8.75	-20.83	1	6	0	84	351.406	4	↓ MOL2 SDF SMILES Flexibase

39894279

Analogs

5021826
6425087

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-cyclopentyl-4-methyl-5-[[4-nitro-3-(trifluoromethyl)anilino]methylene]-2,6-dioxo-pyridine-3-c (5Z)-1-cyclopentyl-4-methyl-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)	3.76	10.74	-30.52	1	8	0	121	434.374	5	↓ MOL2 SDF SMILES Flexibase

39894303

Analogs

35686397
13576957

Draw Identity 99% 90% 80% 70%

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

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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	10.25	-21.68	1	5	0	75	390.27	3	↓ MOL2 SDF SMILES Flexibase

39894325

Analogs

13576957
16693884

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.66	9.8	-19.38	1	5	0	75	355.825	3	↓ MOL2 SDF SMILES Flexibase

39894350

Analogs

16693958
22000545

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-cyclopentyl-4-methyl-5-[(2-methyl-5-nitro-anilino)methylene]-2,6-dioxo-pyridine-3-carbonitril (5E)-1-cyclopentyl-4-methyl-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)	3.31	10.88	-22.21	1	8	0	121	380.404	4	↓ MOL2 SDF SMILES Flexibase

39894374

Analogs

6351191
9422098

Draw Identity 99% 90% 80% 70%

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

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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)	3.41	9.68	-18.58	1	6	0	84	365.433	5	↓ MOL2 SDF SMILES Flexibase

39894397

Analogs

16693926

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-chloro-4-nitro-anilino)methylene]-1-cyclopentyl-4-methyl-2,6-dioxo-pyridine-3-carbonitril (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)	3.54	10.59	-25.95	1	8	0	121	400.822	4	↓ MOL2 SDF SMILES Flexibase

39894420

Analogs

5021826
8993313

Draw Identity 99% 90% 80% 70%

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

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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	10.35	-23.04	1	5	0	75	389.377	4	↓ MOL2 SDF SMILES Flexibase

39894443

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.76	9.96	-21.08	1	5	0	75	400.276	3	↓ MOL2 SDF SMILES Flexibase

39894466

Analogs

5021825
5021827
9061312
5021823
6844938

Draw Identity 99% 90% 80% 70%

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

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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	10.9	-16.51	1	5	0	75	349.434	4	↓ MOL2 SDF SMILES Flexibase

39894490

Analogs

6302564
3152988

Draw Identity 99% 90% 80% 70%

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

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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)	2.84	10.72	-15.24	1	5	0	75	349.434	3	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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