ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

5781344

Analogs

5781350
16576221
5733847

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[1-(4-oxo-2-sulfanyl-thiazol-5-yl)propyl]-2-sulfanyl-thiazol-4-one 5-[1-(4-oxo-2-sulfanyl-thiazol-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	3.5	-12.07	2	4	0	58	306.459	3	↓ MOL2 SDF SMILES Flexibase

5781350

Analogs

16576221
5733847

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[1-(4-oxo-2-sulfanyl-thiazol-5-yl)propyl]-2-sulfanyl-thiazol-4-one 5-[1-(4-oxo-2-sulfanyl-thiazol-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	3.6	-10.79	2	4	0	58	306.459	3	↓ MOL2 SDF SMILES Flexibase

6050890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-hexoxyphenyl)methyleneamino]-2-thioxo-thiazolidin-4-one 3-[(4-hexoxyphenyl)methyleneamin…

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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	-0.13	-12.48	0	4	0	41	336.482	8	↓ MOL2 SDF SMILES Flexibase

6051511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenoxy)-N-[2-(4-oxo-2-thioxo-thiazolidin-3-yl)ethyl]acetamide 2-(2,4-dichlorophenoxy)-N-[2-(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)	2.53	7.06	-19.78	1	5	0	59	379.29	6	↓ MOL2 SDF SMILES Flexibase

35624505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-phenoxyphenyl)methyleneamino]-2-thioxo-thiazolidin-4-one 3-[(3-phenoxyphenyl)methyleneami…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	9.09	-13.84	0	4	0	42	328.418	4	↓ MOL2 SDF SMILES Flexibase

71500735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[2-(4-oxo-2-thioxo-thiazolidin-3-yl)ethyl]but-2-enamide 3-methyl-N-[2-(4-oxo-2-thioxo-th…

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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)	1.24	4.45	-13.27	1	4	0	49	258.368	4	↓ MOL2 SDF SMILES Flexibase

71500737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-furyl)-N-[2-(4-oxo-2-thioxo-thiazolidin-3-yl)ethyl]prop-2-enamide (E)-3-(2-furyl)-N-[2-(4-oxo-2-th…

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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)	0.99	4.83	-14.9	1	5	0	63	296.373	5	↓ MOL2 SDF SMILES Flexibase

71500740

Analogs

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Popular Name: tert-butyl tert-butyl

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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)	1.28	3.74	-11.9	1	5	0	59	276.383	5	↓ MOL2 SDF SMILES Flexibase

71558012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-oxo-2-thioxo-thiazolidin-3-yl)ethyl]butane-1-sulfonamide N-[2-(4-oxo-2-thioxo-thiazolidin…

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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)	1.05	2.58	-16.91	1	5	0	66	296.439	7	↓ MOL2 SDF SMILES Flexibase

36099373

Analogs

15724496

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-hydroxy-3-nitro-phenyl)methyleneamino]-2-thioxo-thiazolidin-4-one 3-[(4-hydroxy-3-nitro-phenyl)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)	1.56	5.44	-15.53	1	7	0	99	297.317	3	↓ MOL2 SDF SMILES Flexibase

12039476

Analogs

12039480
12039485
12039489

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3R)-3-[5-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methylsulfanyl]pyrimidin-4-yl]-1-piperidyl]-2-o 3-[2-[(3R)-3-[5-methyl-2-[[(2S)-…

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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	-4.67	-18.41	0	7	0	76	466.654	6	↓ MOL2 SDF SMILES Flexibase

12039480

Analogs

12039485
12039489
12039476

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3R)-3-[5-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]pyrimidin-4-yl]-1-piperidyl]-2-o 3-[2-[(3R)-3-[5-methyl-2-[[(2R)-…

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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	-4.56	-18.31	0	7	0	76	466.654	6	↓ MOL2 SDF SMILES Flexibase

12039485

Analogs

12039489
12039476
12039480

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3S)-3-[5-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methylsulfanyl]pyrimidin-4-yl]-1-piperidyl]-2-o 3-[2-[(3S)-3-[5-methyl-2-[[(2S)-…

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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	-4.69	-19.11	0	7	0	76	466.654	6	↓ MOL2 SDF SMILES Flexibase

12039489

Analogs

12039476
12039480

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3S)-3-[5-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]pyrimidin-4-yl]-1-piperidyl]-2-o 3-[2-[(3S)-3-[5-methyl-2-[[(2R)-…

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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	-4.58	-19.76	0	7	0	76	466.654	6	↓ MOL2 SDF SMILES Flexibase

36635982

Analogs

51358028

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2H-chromen-3-ylmethyleneamino)-2-thioxo-thiazolidin-4-one 3-(2H-chromen-3-ylmethyleneamino…

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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)	2.28	6.8	-16.13	0	4	0	42	290.369	2	↓ MOL2 SDF SMILES Flexibase

36635985

Analogs

51358030

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(6-chloro-2H-chromen-3-yl)methyleneamino]-2-thioxo-thiazolidin-4-one 3-[(6-chloro-2H-chromen-3-yl)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)	2.93	7.32	-14.73	0	4	0	42	324.814	2	↓ MOL2 SDF SMILES Flexibase

22712301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-bromo-6-methoxy-4-[(E)-(4-oxo-2-thioxo-thiazolidin-3-yl)iminomethyl]phenoxy]methyl]benzonitril 4-[[2-bromo-6-methoxy-4-[(E)-(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	11.05	-17.36	0	6	0	75	476.377	6	↓ MOL2 SDF SMILES Flexibase

56897649

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dan dan

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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)	2.23	5.11	-8.76	0	7	0	91	296.333	3	↓ MOL2 SDF SMILES Flexibase

57932282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-8-[(4-oxo-2-thioxo-thiazolidin-3-yl)amino]-7-phenethyl-purine-2,6-dione 1,3-dimethyl-8-[(4-oxo-2-thioxo-…

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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)	2.16	12.21	-17.38	1	9	0	94	430.515	5	↓ MOL2 SDF SMILES Flexibase

13675204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenacyl-2-thioxo-thiazolidin-4-one 3-phenacyl-2-thioxo-thiazolidin-…

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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)	1.60	7.03	-12.83	0	3	0	37	251.332	3	↓ MOL2 SDF SMILES Flexibase

1786690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-keto-2-thioxo-thiazolidin-3-yl)hexanoate (2S)-2-(4-keto-2-thioxo-thiazoli…

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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)	0.18	5.84	-52.89	0	4	-1	60	246.333	5	↓ MOL2 SDF SMILES Flexibase

1786691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-keto-2-thioxo-thiazolidin-3-yl)hexanoate (2R)-2-(4-keto-2-thioxo-thiazoli…

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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)	0.18	5.83	-52.96	0	4	-1	60	246.333	5	↓ MOL2 SDF SMILES Flexibase

2798496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(E)-[(5S)-4-keto-5-methyl-2-thioxo-thiazolidin-3-yl]iminomethyl]-2-methoxy-phenoxy]-N-phenyl-a 2-[4-[(E)-[(5S)-4-keto-5-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)	2.70	-0.97	-22.27	1	7	0	80	429.523	7	↓ MOL2 SDF SMILES Flexibase

2798498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(E)-[(5R)-4-keto-5-methyl-2-thioxo-thiazolidin-3-yl]iminomethyl]-2-methoxy-phenoxy]-N-phenyl-a 2-[4-[(E)-[(5R)-4-keto-5-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)	2.70	9.58	-22.4	1	7	0	80	429.523	7	↓ MOL2 SDF SMILES Flexibase

2798507

Analogs

2798508

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-amino-5-methyl-2-thioxo-thiazolidin-4-one (5S)-3-amino-5-methyl-2-thioxo-t…

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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)	0.20	1.91	-7.24	2	3	0	46	162.239	0	↓ MOL2 SDF SMILES Flexibase

2798508

Analogs

2798507

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-amino-5-methyl-2-thioxo-thiazolidin-4-one (5R)-3-amino-5-methyl-2-thioxo-t…

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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)	0.20	1.91	-7.19	2	3	0	46	162.239	0	↓ MOL2 SDF SMILES Flexibase

2799269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Cyclopentyl-2-thioxo-thiazolidin-4-one 3-Cyclopentyl-2-thioxo-thiazolid…

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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)	1.86	5.3	-6.18	0	2	0	20	201.316	1	↓ MOL2 SDF SMILES Flexibase

2799382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzyl-3-(4-keto-2-thioxo-thiazolidin-3-yl)thiourea 1-benzyl-3-(4-keto-2-thioxo-thia…

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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	-5.49	-15.19	2	4	0	44	297.43	5	↓ MOL2 SDF SMILES Flexibase

2799724

Analogs

2962477
3529685
16688883

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(E)-(2-bromo-5-ethoxy-4-isopropoxy-benzylidene)amino]-5-methyl-2-thioxo-thiazolidin-4-one (5R)-3-[(E)-(2-bromo-5-ethoxy-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)	3.75	9.9	-12.3	0	5	0	51	431.377	6	↓ MOL2 SDF SMILES Flexibase

2799726

Analogs

2962477
3529685
16688883

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(E)-(2-bromo-5-ethoxy-4-isopropoxy-benzylidene)amino]-5-methyl-2-thioxo-thiazolidin-4-one (5S)-3-[(E)-(2-bromo-5-ethoxy-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)	3.75	9.9	-12.33	0	5	0	51	431.377	6	↓ MOL2 SDF SMILES Flexibase

2799770

Analogs

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Popular Name: 1-(4-keto-2-thioxo-thiazolidin-3-yl)-3-phenyl-urea 1-(4-keto-2-thioxo-thiazolidin-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)	1.56	-4.34	-15.66	2	5	0	61	267.335	2	↓ MOL2 SDF SMILES Flexibase

4737183

Analogs

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Popular Name: 3-ethyl-5-nitroso-2-thioxo-thiazolidin-4-one 3-ethyl-5-nitroso-2-thioxo-thiaz…

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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)	0.63	1.36	-6.13	0	4	0	50	190.249	2	↓ MOL2 SDF SMILES Flexibase

4737184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-nitroso-2-thioxo-thiazolidin-4-one 3-ethyl-5-nitroso-2-thioxo-thiaz…

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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)	0.63	1.36	-6.03	0	4	0	50	190.249	2	↓ MOL2 SDF SMILES Flexibase

16576221

Analogs

5733847

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Popular Name: (5R)-5-[1-[(5S)-4-oxo-2-thioxo-thiazolidin-5-yl]ethyl]-2-thioxo-thiazolidin-4-one (5R)-5-[1-[(5S)-4-oxo-2-thioxo-t…

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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)	0.83	3.33	-13.67	2	4	0	58	292.432	2	↓ MOL2 SDF SMILES Flexibase

67740177

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Popular Name: 3-[2-[(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxo-ethyl]-2-thioxo-thiazolidin-4 3-[2-[(5S)-9-(2,2-dimethylpropyl…

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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)	2.15	10.18	-44.13	1	5	1	45	384.591	4	↓ MOL2 SDF SMILES Flexibase

67740179

Analogs

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Popular Name: 3-[2-[(5R)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxo-ethyl]-2-thioxo-thiazolidin-4 3-[2-[(5R)-9-(2,2-dimethylpropyl…

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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)	2.15	10.32	-47.3	1	5	1	45	384.591	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 2942
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 = 2942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2942&filter.purchasability=annotated

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<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": "2942"        

    });
</script>

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