ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

19431828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(3-methyl-4-nitro-benzoyl)thiazolidine-4-carboxylic (4S)-3-(3-methyl-4-nitro-benzoyl…

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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)	-0.61	6.03	-37.21	0	7	-1	106	295.296	3	↓ MOL2 SDF SMILES Flexibase

19431830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(3-methyl-4-nitro-benzoyl)thiazolidine-4-carboxylic (4R)-3-(3-methyl-4-nitro-benzoyl…

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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)	-0.61	7.12	-49.62	0	7	-1	106	295.296	3	↓ MOL2 SDF SMILES Flexibase

19432438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(4-methyl-3-nitro-benzoyl)thiazolidine-4-carboxylic (4S)-3-(4-methyl-3-nitro-benzoyl…

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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)	-0.61	5.98	-38.05	0	7	-1	106	295.296	3	↓ MOL2 SDF SMILES Flexibase

19432440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(4-methyl-3-nitro-benzoyl)thiazolidine-4-carboxylic (4R)-3-(4-methyl-3-nitro-benzoyl…

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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)	-0.61	7.25	-57.94	0	7	-1	106	295.296	3	↓ MOL2 SDF SMILES Flexibase

19432549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(4-isopropylbenzoyl)thiazolidine-4-carboxylic (4S)-3-(4-isopropylbenzoyl)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)	0.57	6.72	-43.78	0	4	-1	60	278.353	3	↓ MOL2 SDF SMILES Flexibase

19432551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(4-isopropylbenzoyl)thiazolidine-4-carboxylic (4R)-3-(4-isopropylbenzoyl)thiaz…

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Activity (Go SEA)

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)	0.57	7.92	-54.97	0	4	-1	60	278.353	3	↓ MOL2 SDF SMILES Flexibase

19432644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(4-dimethylaminobenzoyl)thiazolidine-4-carboxylic (4S)-3-(4-dimethylaminobenzoyl)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)	-0.84	6.33	-57.38	0	5	-1	64	279.341	3	↓ MOL2 SDF SMILES Flexibase

19432646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(4-dimethylaminobenzoyl)thiazolidine-4-carboxylic (4R)-3-(4-dimethylaminobenzoyl)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)	-0.84	6.38	-56.95	0	5	-1	64	279.341	3	↓ MOL2 SDF SMILES Flexibase

19434037

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-ethoxyphenyl)carbonyl]-1,3-thiazolidine-4-carboxylic acid 3-[(4-ethoxyphenyl)carbonyl]-1,3…

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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)	-0.51	5.04	-42.39	0	5	-1	70	280.325	4	↓ MOL2 SDF SMILES Flexibase

19434040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-ethoxyphenyl)carbonyl]-1,3-thiazolidine-4-carboxylic acid 3-[(4-ethoxyphenyl)carbonyl]-1,3…

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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)	-0.51	6.24	-54.51	0	5	-1	70	280.325	4	↓ MOL2 SDF SMILES Flexibase

19434231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(3-methoxy-4-methyl-benzoyl)thiazolidine-4-carboxylic (4S)-3-(3-methoxy-4-methyl-benzo…

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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)	-0.51	4.95	-42.62	0	5	-1	70	280.325	3	↓ MOL2 SDF SMILES Flexibase

19434234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(3-methoxy-4-methyl-benzoyl)thiazolidine-4-carboxylic (4R)-3-(3-methoxy-4-methyl-benzo…

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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)	-0.51	6	-55.55	0	5	-1	70	280.325	3	↓ MOL2 SDF SMILES Flexibase

19434295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(2,4-dimethoxybenzoyl)thiazolidine-4-carboxylic (4S)-3-(2,4-dimethoxybenzoyl)thi…

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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)	-0.35	5.21	-58.43	0	6	-1	79	296.324	4	↓ MOL2 SDF SMILES Flexibase

19434298

Analogs

33746268
33746269

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid (4R)-3-(2,4-dimethoxybenzoyl)-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)	-0.35	5.21	-59.43	0	6	-1	79	296.324	4	↓ MOL2 SDF SMILES Flexibase

19434602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(2,6-difluorobenzoyl)thiazolidine-4-carboxylic (4R)-3-(2,6-difluorobenzoyl)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)	-0.71	6.27	-61.66	0	4	-1	60	272.252	2	↓ MOL2 SDF SMILES Flexibase

19434604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(2,6-difluorobenzoyl)thiazolidine-4-carboxylic (4S)-3-(2,6-difluorobenzoyl)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)	-0.71	6.21	-62.12	0	4	-1	60	272.252	2	↓ MOL2 SDF SMILES Flexibase

19434972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(2-methylbenzoyl)thiazolidine-4-carboxylic (4S)-3-(2-methylbenzoyl)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)	-0.54	6.47	-54.58	0	4	-1	60	250.299	2	↓ MOL2 SDF SMILES Flexibase

19434974

Analogs

36979069
36979071
36979161
36979163
36979320

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid (4R)-3-(2-methylbenzoyl)-1,3-thi…

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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)	-0.54	6.65	-55.41	0	4	-1	60	250.299	2	↓ MOL2 SDF SMILES Flexibase

19435146

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(3-hydroxy-4-methyl-benzoyl)thiazolidine-4-carboxylic (4S)-3-(3-hydroxy-4-methyl-benzo…

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Activity (Go SEA)

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)	-0.58	2.61	-45.61	1	5	-1	81	266.298	2	↓ MOL2 SDF SMILES Flexibase

19435148

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(3-hydroxy-4-methyl-benzoyl)thiazolidine-4-carboxylic (4R)-3-(3-hydroxy-4-methyl-benzo…

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Activity (Go SEA)

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)	-0.58	3.82	-57.31	1	5	-1	81	266.298	2	↓ MOL2 SDF SMILES Flexibase

19435494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(3,5-dimethoxybenzoyl)thiazolidine-4-carboxylic (4S)-3-(3,5-dimethoxybenzoyl)thi…

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Activity (Go SEA)

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)	-0.90	4.5	-56.38	0	6	-1	79	296.324	4	↓ MOL2 SDF SMILES Flexibase

19435496

Analogs

36979208
4588607
4588610

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(3,5-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid (4R)-3-(3,5-dimethoxybenzoyl)-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)	-0.90	3.56	-45.63	0	6	-1	79	296.324	4	↓ MOL2 SDF SMILES Flexibase

19437518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(2-ethoxybenzoyl)thiazolidine-4-carboxylic (4S)-3-(2-ethoxybenzoyl)thiazoli…

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Activity (Go SEA)

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)	-0.01	6.27	-47.71	0	5	-1	70	280.325	4	↓ MOL2 SDF SMILES Flexibase

19437520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(2-ethoxybenzoyl)thiazolidine-4-carboxylic (4R)-3-(2-ethoxybenzoyl)thiazoli…

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Activity (Go SEA)

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)	-0.01	5.44	-46.02	0	5	-1	70	280.325	4	↓ MOL2 SDF SMILES Flexibase

19437578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(2-chlorobenzoyl)thiazolidine-4-carboxylic (4R)-3-(2-chlorobenzoyl)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)	-0.31	6.23	-56.11	0	4	-1	60	270.717	2	↓ MOL2 SDF SMILES Flexibase

19437580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(2-chlorobenzoyl)thiazolidine-4-carboxylic (4S)-3-(2-chlorobenzoyl)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)	-0.31	6.42	-57.16	0	4	-1	60	270.717	2	↓ MOL2 SDF SMILES Flexibase

19441271

Analogs

36979069
36979071
36979161
36979163
36979270

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(4-cyanobenzoyl)-1,3-thiazolidine-4-carboxylic acid (4R)-3-(4-cyanobenzoyl)-1,3-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)	-1.19	6.38	-53.27	0	5	-1	84	261.282	2	↓ MOL2 SDF SMILES Flexibase

19441273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(4-cyanobenzoyl)thiazolidine-4-carboxylic (4S)-3-(4-cyanobenzoyl)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)	-1.19	6.35	-53.75	0	5	-1	84	261.282	2	↓ MOL2 SDF SMILES Flexibase

19988231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(2,3-dichlorobenzoyl)thiazolidine-4-carboxylic (4R)-3-(2,3-dichlorobenzoyl)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)	0.32	6.7	-54.65	0	4	-1	60	305.162	2	↓ MOL2 SDF SMILES Flexibase

19988235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(2,3-dichlorobenzoyl)thiazolidine-4-carboxylic (4S)-3-(2,3-dichlorobenzoyl)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)	0.32	5.89	-39.67	0	4	-1	60	305.162	2	↓ MOL2 SDF SMILES Flexibase

54415437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(3-fluoro-4-nitro-benzoyl)thiazolidine-4-carboxylic (4S)-3-(3-fluoro-4-nitro-benzoyl…

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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)	-0.89	6.87	-49.54	0	7	-1	106	299.259	3	↓ MOL2 SDF SMILES Flexibase

54415438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(3-fluoro-4-nitro-benzoyl)thiazolidine-4-carboxylic (4R)-3-(3-fluoro-4-nitro-benzoyl…

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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)	-0.89	7.52	-49.92	0	7	-1	106	299.259	3	↓ MOL2 SDF SMILES Flexibase

60023068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-benzoyl-2,2-dimethyl-thiazolidine-4-carboxylic (4R)-3-benzoyl-2,2-dimethyl-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)	-0.14	7.73	-61.66	0	4	-1	60	264.326	2	↓ MOL2 SDF SMILES Flexibase

60023069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-benzoyl-2,2-dimethyl-thiazolidine-4-carboxylic (4S)-3-benzoyl-2,2-dimethyl-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)	-0.14	7.69	-62.85	0	4	-1	60	264.326	2	↓ MOL2 SDF SMILES Flexibase

62664498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(5-fluoro-2-methyl-benzoyl)thiazolidine-4-carboxylic (4S)-3-(5-fluoro-2-methyl-benzoy…

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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)	-0.40	6.9	-52.87	0	4	-1	60	268.289	2	↓ MOL2 SDF SMILES Flexibase

62664500

Analogs

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Popular Name: (4R)-3-(5-fluoro-2-methyl-benzoyl)thiazolidine-4-carboxylic (4R)-3-(5-fluoro-2-methyl-benzoy…

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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)	-0.40	7.46	-52.79	0	4	-1	60	268.289	2	↓ MOL2 SDF SMILES Flexibase

66657669

Analogs

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Popular Name: (4R)-3-[3-(difluoromethoxy)benzoyl]-N,N-dimethyl-thiazolidine-4-carboxamide (4R)-3-[3-(difluoromethoxy)benzo…

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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)	0.76	5.92	-16.86	0	5	0	50	330.356	4	↓ MOL2 SDF SMILES Flexibase

66657670

Analogs

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Popular Name: (4S)-3-[3-(difluoromethoxy)benzoyl]-N,N-dimethyl-thiazolidine-4-carboxamide (4S)-3-[3-(difluoromethoxy)benzo…

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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)	0.76	5.83	-18.5	0	5	0	50	330.356	4	↓ MOL2 SDF SMILES Flexibase

66657679

Analogs

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Popular Name: (4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-thiazolidine-4-carboxamide (4R)-3-(2,3-dichlorobenzoyl)-N,N…

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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)	1.44	6.36	-16.01	0	4	0	41	333.24	2	↓ MOL2 SDF SMILES Flexibase

66657680

Analogs

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Popular Name: (4S)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-thiazolidine-4-carboxamide (4S)-3-(2,3-dichlorobenzoyl)-N,N…

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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)	1.44	7.57	-21.35	0	4	0	41	333.24	2	↓ MOL2 SDF SMILES Flexibase

63004218

Analogs

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Popular Name: (4S)-3-(3,4,5-trifluorobenzoyl)thiazolidine-4-carboxylic (4S)-3-(3,4,5-trifluorobenzoyl)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)	-0.60	6.31	-46.31	0	4	-1	60	290.242	2	↓ MOL2 SDF SMILES Flexibase

63004219

Analogs

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Popular Name: (4R)-3-(3,4,5-trifluorobenzoyl)thiazolidine-4-carboxylic (4R)-3-(3,4,5-trifluorobenzoyl)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)	-0.60	6.97	-46.44	0	4	-1	60	290.242	2	↓ MOL2 SDF SMILES Flexibase

63010715

Analogs

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Popular Name: (4S)-3-(4-amino-3-fluoro-benzoyl)thiazolidine-4-carboxylic (4S)-3-(4-amino-3-fluoro-benzoyl…

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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)	-1.37	4.11	-55.85	2	5	-1	86	269.277	2	↓ MOL2 SDF SMILES Flexibase

63010716

Analogs

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Popular Name: (4R)-3-(4-amino-3-fluoro-benzoyl)thiazolidine-4-carboxylic (4R)-3-(4-amino-3-fluoro-benzoyl…

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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)	-1.37	4.77	-53.9	2	5	-1	86	269.277	2	↓ MOL2 SDF SMILES Flexibase

69492496

Analogs

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Popular Name: (4R)-N,N-diethyl-3-(2-fluoro-4-methoxy-benzoyl)thiazolidine-4-carboxamide (4R)-N,N-diethyl-3-(2-fluoro-4-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)	1.52	6.76	-16.46	0	5	0	50	340.42	5	↓ MOL2 SDF SMILES Flexibase

69492497

Analogs

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Popular Name: (4S)-N,N-diethyl-3-(2-fluoro-4-methoxy-benzoyl)thiazolidine-4-carboxamide (4S)-N,N-diethyl-3-(2-fluoro-4-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)	1.52	6.56	-20.31	0	5	0	50	340.42	5	↓ MOL2 SDF SMILES Flexibase

69507930

Analogs

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Popular Name: (4R)-3-(4-cyanobenzoyl)-N,N-diethyl-thiazolidine-4-carboxamide (4R)-3-(4-cyanobenzoyl)-N,N-diet…

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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)	1.12	8.05	-15.7	0	5	0	64	317.414	4	↓ MOL2 SDF SMILES Flexibase

69507932

Analogs

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Popular Name: (4S)-3-(4-cyanobenzoyl)-N,N-diethyl-thiazolidine-4-carboxamide (4S)-3-(4-cyanobenzoyl)-N,N-diet…

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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)	1.12	7.59	-17.74	0	5	0	64	317.414	4	↓ MOL2 SDF SMILES Flexibase

69563225

Analogs

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Popular Name: (4R)-3-(3-acetamidobenzoyl)-N,N-diethyl-thiazolidine-4-carboxamide (4R)-3-(3-acetamidobenzoyl)-N,N-…

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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)	0.56	6.21	-19.65	1	6	0	70	349.456	5	↓ MOL2 SDF SMILES Flexibase

69563227

Analogs

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Popular Name: (4S)-3-(3-acetamidobenzoyl)-N,N-diethyl-thiazolidine-4-carboxamide (4S)-3-(3-acetamidobenzoyl)-N,N-…

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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)	0.56	6.21	-20.79	1	6	0	70	349.456	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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