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ZINC Item

Suppliers, Protomers, & Similar Substances

2081280

Analogs

39864058
39864536

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-{3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 1-methyl-3-{3-(2-methylphenyl)-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)	6.83	2.06	-12.5	1	0	0	56	439.54	5	↓ MOL2 SDF SMILES Flexibase

2081599

Analogs

39862666
39864062
39864540
39865528
39866457

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-3-{3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 5-bromo-3-{3-(4-ethylphenyl)-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)	8.37	-0.67	-10.59	2	1	0	67	532.463	5	↓ MOL2 SDF SMILES Flexibase

2081605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-{3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 3-{3-(2-ethylphenyl)-2-[(2-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)	7.70	0.59	-11.24	1	1	0	67	453.567	5	↓ MOL2 SDF SMILES Flexibase

2081934

Analogs

8396326

Draw Identity 99% 90% 80% 70%

Popular Name: 5,7-dimethyl-3-{3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 5,7-dimethyl-3-{3-(2-methylpheny…

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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)	7.57	0.91	-11.26	1	1	0	67	453.567	5	↓ MOL2 SDF SMILES Flexibase

2081962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-3-{3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-7-methyl-1,3-dihydro-2H-indol-2-one 5-bromo-3-{3-(2-ethylphenyl)-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)	8.86	0.2	-10.19	2	1	0	67	546.49	5	↓ MOL2 SDF SMILES Flexibase

2083808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-ethyl-3-{3-(3-methylphenyl)-2-[(3-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 7-ethyl-3-{3-(3-methylphenyl)-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)	7.68	0.28	-11.01	1	5	0	67	453.567	3	↓ MOL2 SDF SMILES Flexibase

2084557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-3-{3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-5-methyl-1,3-dihydro-2H-indol-2-one 7-bromo-3-{3-(3,4-dimethylphenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.78	-0.11	-8.91	1	5	0	67	546.49	2	↓ MOL2 SDF SMILES Flexibase

2084948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-{3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-7-methyl-1,3-dihydro-2H-indol-2-one 6-chloro-3-{3-(3,4-dimethylpheny…

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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)	8.64	0.47	-9.17	1	5	0	67	502.039	2	↓ MOL2 SDF SMILES Flexibase

2084964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-3-{3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1-methyl-1,3-dihydro-2H-indol-2-one 5-bromo-3-{3-(3,4-dimethylphenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.47	1.47	-12.4	0	5	0	56	546.49	2	↓ MOL2 SDF SMILES Flexibase

2085408

Analogs

39862665
39863572
39863875
39863973
39864061

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-ethyl-3-{3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 5-bromo-1-ethyl-3-{3-(4-ethylphe…

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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)	8.81	1.39	-11.22	0	5	0	56	560.517	5	↓ MOL2 SDF SMILES Flexibase

2085444

Analogs

12436652
19842957

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-3-{3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 5-ethyl-3-{3-(4-ethylphenyl)-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)	8.47	0.57	-10.78	1	5	0	67	481.621	5	↓ MOL2 SDF SMILES Flexibase

2085876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-{3-(2,6-dimethylphenyl)-2-[(2,6-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,7-dimethyl-1,3-dihydro-2H-indol-2-one 3-{3-(2,6-dimethylphenyl)-2-[(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)	8.24	3.02	-12.23	0	5	0	56	481.621	2	↓ MOL2 SDF SMILES Flexibase

2086188

Analogs

33786150
39862663
39863570
39864058
39864061

Draw Identity 99% 90% 80% 70%

Popular Name: 3-{3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1-methyl-1,3-dihydro-2H-indol-2-one 3-{3-(4-ethylphenyl)-2-[(4-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)	7.65	1.94	-11.77	0	5	0	56	467.594	4	↓ MOL2 SDF SMILES Flexibase

2086965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-3-{3-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-7-methyl-1,3-dihydro-2H-indol-2-one 5-bromo-3-{3-(3,5-dimethylphenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.99	0.04	-10.94	1	5	0	67	546.49	2	↓ MOL2 SDF SMILES Flexibase

2086987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-{3-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-5-iodo-1,3-dihydro-2H-indol-2-one 3-{3-(3,5-dimethylphenyl)-2-[(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)	8.88	-0.41	-11.46	1	5	0	67	579.463	2	↓ MOL2 SDF SMILES Flexibase

2086993

Analogs

34222261

Draw Identity 99% 90% 80% 70%

Popular Name: 3-{3-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-5,7-dimethyl-1,3-dihydro-2H-indol-2-one 3-{3-(3,5-dimethylphenyl)-2-[(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)	8.63	1.12	-11.62	1	5	0	67	481.621	2	↓ MOL2 SDF SMILES Flexibase

2086997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-{3-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-7-methyl-1,3-dihydro-2H-indol-2-one 6-chloro-3-{3-(3,5-dimethylpheny…

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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)	8.86	0.64	-9.24	1	5	0	67	502.039	2	↓ MOL2 SDF SMILES Flexibase

2087124

Analogs

39866771

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-3-{3-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 1-allyl-3-{3-(3,5-dimethylphenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.54	2.93	-12.41	0	5	0	56	493.632	4	↓ MOL2 SDF SMILES Flexibase

2092377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-5-methyl-3-{3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 7-bromo-5-methyl-3-{3-(4-methylp…

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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)	8.24	11.79	-55.16	0	5	-1	70	517.428	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	8.24	13.19	-55.99	0	5	-1	70	517.428	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	7.81	13.58	-13.58	1	5	0	67	518.436	2	↓ MOL2 SDF SMILES Flexibase

2092495

Analogs

33786150
39862663
39863570
39864058
39864061

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-{3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 1-methyl-3-{3-(4-methylphenyl)-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)	6.72	14.32	-16.84	0	5	0	56	439.54	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	6.72	15.71	-17.62	0	5	0	56	439.54	2	↓ MOL2 SDF SMILES Flexibase

2092500

Analogs

33786150
39862663
39863569
39863570
39864058

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-5-(2-keto-1-methyl-indolin-3-ylidene)-3-(p-tolyl)-2-(p-tolylimino)thiazolidin-4-one (2Z,5Z)-5-(2-keto-1-methyl-indol…

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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)	6.72	1.63	-12.34	0	5	0	56	439.54	2	↓ MOL2 SDF SMILES Flexibase

2092878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,7-dibromo-3-{3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 5,7-dibromo-3-{3-(2-methylphenyl…

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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)	8.29	-1.28	-7.75	1	5	0	67	583.305	2	↓ MOL2 SDF SMILES Flexibase

2093166

Analogs

39862365
39862667
39863574
39863775
39864063

Draw Identity 99% 90% 80% 70%

Popular Name: 3-{3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-5-fluoro-1,3-dihydro-2H-indol-2-one 3-{3-(4-ethylphenyl)-2-[(4-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)	6.75	0.83	-11.46	1	5	0	67	471.557	4	↓ MOL2 SDF SMILES Flexibase

2093226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-3-{3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-5-methyl-1,3-dihydro-2H-indol-2-one 7-bromo-3-{3-(4-ethylphenyl)-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)	8.74	-0.34	-8.04	1	5	0	67	546.49	4	↓ MOL2 SDF SMILES Flexibase

2093253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-3-{3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,5-dimethyl-1,3-dihydro-2H-indol-2-one 7-bromo-3-{3-(2-ethylphenyl)-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)	8.93	1.71	-9.17	0	5	0	56	560.517	4	↓ MOL2 SDF SMILES Flexibase

2094373

Analogs

8452889
39866768

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 4-[2-{[4-(ethoxycarbonyl)phenyl]imino}-5-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-3-yl]benzoate ethyl 4-[2-{[4-(ethoxycarbonyl)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)	7.27	1.61	-13.21	1	9	0	119	555.612	8	↓ MOL2 SDF SMILES Flexibase

2094445

Analogs

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Popular Name: ethyl 4-(5-(1,5-dimethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-3-yl)benzoate ethyl 4-(5-(1,5-dimethyl-2-oxo-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.34	3.46	-13.89	0	9	0	108	569.639	8	↓ MOL2 SDF SMILES Flexibase

2094491

Analogs

8452889

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl [(4-chlorophenyl)imino]-5-(3-hydroxybenzylidene)-3-methyl-1,3-thiazolidin-4-one ethyl [(4-chlorophenyl)imino]-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)	7.65	1.98	-12.79	1	9	0	119	569.639	8	↓ MOL2 SDF SMILES Flexibase

2807282

Analogs

34222261
39866768

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-3-{3-(3-methylphenyl)-2-[(3-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 5-methyl-3-{3-(3-methylphenyl)-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)	7.24	0.06	-11.58	1	1	0	67	439.54	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 230439
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 230439 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=230439&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "230439"        

    });
</script>

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