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ZINC Item

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52882445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-[(2R)-2-amino-2-phenyl-propanoyl]thiazolidine-4-carboxylic (4S)-3-[(2R)-2-amino-2-phenyl-pr…

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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)	-0.75	4.82	-52.38	2	5	-1	86	279.341	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.75	5.05	-65.96	3	5	0	88	280.349	3	↓ MOL2 SDF SMILES Flexibase

52882446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-[(2S)-2-amino-2-phenyl-propanoyl]thiazolidine-4-carboxylic (4S)-3-[(2S)-2-amino-2-phenyl-pr…

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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)	-0.75	5.08	-53.19	2	5	-1	86	279.341	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.75	4.79	-74.76	3	5	0	88	280.349	3	↓ MOL2 SDF SMILES Flexibase

52882447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[(2R)-2-amino-2-phenyl-propanoyl]thiazolidine-4-carboxylic (4R)-3-[(2R)-2-amino-2-phenyl-pr…

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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)	-0.75	5.36	-51.17	2	5	-1	86	279.341	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.75	5.12	-72.59	3	5	0	88	280.349	3	↓ MOL2 SDF SMILES Flexibase

52882448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[(2S)-2-amino-2-phenyl-propanoyl]thiazolidine-4-carboxylic (4R)-3-[(2S)-2-amino-2-phenyl-pr…

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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)	-0.75	5.37	-55.49	2	5	-1	86	279.341	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.75	5.38	-62.33	3	5	0	88	280.349	3	↓ MOL2 SDF SMILES Flexibase

52944231

Analogs

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Popular Name: (4S)-3-[2-(3-chlorophenyl)acetyl]thiazolidine-4-carboxylic (4S)-3-[2-(3-chlorophenyl)acetyl…

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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)	0.27	7.71	-55.23	0	4	-1	60	284.744	3	↓ MOL2 SDF SMILES Flexibase

52944232

Analogs

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Popular Name: (4R)-3-[2-(3-chlorophenyl)acetyl]thiazolidine-4-carboxylic (4R)-3-[2-(3-chlorophenyl)acetyl…

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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)	0.27	8.26	-52.24	0	4	-1	60	284.744	3	↓ MOL2 SDF SMILES Flexibase

19439616

Analogs

34940097
34940098
36979338
36979340
36979478

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[(2-fluorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid (4R)-3-[(2-fluorophenyl)acetyl]-…

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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)	-0.27	7.03	-55.16	0	4	-1	60	268.289	3	↓ MOL2 SDF SMILES Flexibase

19439618

Analogs

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Popular Name: (4S)-3-[2-(2-fluorophenyl)acetyl]thiazolidine-4-carboxylic (4S)-3-[2-(2-fluorophenyl)acetyl…

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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)	-0.27	7.04	-59.41	0	4	-1	60	268.289	3	↓ MOL2 SDF SMILES Flexibase

19442269

Analogs

21813567
21813568
34343603
34343604
36979059

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(phenylacetyl)-1,3-thiazolidine-4-carboxylic acid (4R)-3-(phenylacetyl)-1,3-thiazo…

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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)	-0.38	6.99	-54.95	0	4	-1	60	250.299	3	↓ MOL2 SDF SMILES Flexibase

19442271

Analogs

53141691
53141693

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Popular Name: (4S)-3-(2-phenylacetyl)thiazolidine-4-carboxylic (4S)-3-(2-phenylacetyl)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)	-0.38	6.99	-54.94	0	4	-1	60	250.299	3	↓ MOL2 SDF SMILES Flexibase

66657569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[2-(3-methoxyphenyl)acetyl]-N,N-dimethyl-thiazolidine-4-carboxamide (4R)-3-[2-(3-methoxyphenyl)acety…

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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)	0.77	5.75	-17.72	0	5	0	50	308.403	4	↓ MOL2 SDF SMILES Flexibase

66657570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-[2-(3-methoxyphenyl)acetyl]-N,N-dimethyl-thiazolidine-4-carboxamide (4S)-3-[2-(3-methoxyphenyl)acety…

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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)	0.77	6.89	-18.93	0	5	0	50	308.403	4	↓ MOL2 SDF SMILES Flexibase

66657621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[2-(3,4-dimethoxyphenyl)acetyl]-N,N-dimethyl-thiazolidine-4-carboxamide (4R)-3-[2-(3,4-dimethoxyphenyl)a…

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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)	0.38	6.75	-20.2	0	6	0	59	338.429	5	↓ MOL2 SDF SMILES Flexibase

66657622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-[2-(3,4-dimethoxyphenyl)acetyl]-N,N-dimethyl-thiazolidine-4-carboxamide (4S)-3-[2-(3,4-dimethoxyphenyl)a…

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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)	0.38	5.71	-20.66	0	6	0	59	338.429	5	↓ MOL2 SDF SMILES Flexibase

66657643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[2-(4-chlorophenyl)acetyl]-N,N-dimethyl-thiazolidine-4-carboxamide (4R)-3-[2-(4-chlorophenyl)acetyl…

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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)	1.42	6.99	-14.88	0	4	0	41	312.822	3	↓ MOL2 SDF SMILES Flexibase

66657644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-[2-(4-chlorophenyl)acetyl]-N,N-dimethyl-thiazolidine-4-carboxamide (4S)-3-[2-(4-chlorophenyl)acetyl…

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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)	1.42	8.11	-17.5	0	4	0	41	312.822	3	↓ MOL2 SDF SMILES Flexibase

66657671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-thiazolidine-4-carboxamide (4R)-3-[2-(4-methoxyphenyl)acety…

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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)	0.80	5.76	-16.49	0	5	0	50	308.403	4	↓ MOL2 SDF SMILES Flexibase

66657672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-thiazolidine-4-carboxamide (4S)-3-[2-(4-methoxyphenyl)acety…

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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)	0.80	6.89	-19.53	0	5	0	50	308.403	4	↓ MOL2 SDF SMILES Flexibase

66657677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[2-(2-chloro-6-fluoro-phenyl)acetyl]-N,N-dimethyl-thiazolidine-4-carboxamide (4R)-3-[2-(2-chloro-6-fluoro-phe…

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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)	1.48	6.91	-14.9	0	4	0	41	330.812	3	↓ MOL2 SDF SMILES Flexibase

66657678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-[2-(2-chloro-6-fluoro-phenyl)acetyl]-N,N-dimethyl-thiazolidine-4-carboxamide (4S)-3-[2-(2-chloro-6-fluoro-phe…

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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)	1.48	8.05	-18.22	0	4	0	41	330.812	3	↓ MOL2 SDF SMILES Flexibase

69456124

Analogs

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Popular Name: (4R)-N-isopropyl-3-[2-(3-methoxyphenyl)acetyl]-N-methyl-thiazolidine-4-carboxamide (4R)-N-isopropyl-3-[2-(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)	1.88	7.27	-16.95	0	5	0	50	336.457	5	↓ MOL2 SDF SMILES Flexibase

69456126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-isopropyl-3-[2-(3-methoxyphenyl)acetyl]-N-methyl-thiazolidine-4-carboxamide (4S)-N-isopropyl-3-[2-(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)	1.88	8.39	-18.53	0	5	0	50	336.457	5	↓ MOL2 SDF SMILES Flexibase

69561312

Analogs

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Popular Name: (4R)-N-ethyl-3-[2-(2-methoxyphenyl)acetyl]-N-methyl-thiazolidine-4-carboxamide (4R)-N-ethyl-3-[2-(2-methoxyphen…

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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	6.83	-16.49	0	5	0	50	322.43	5	↓ MOL2 SDF SMILES Flexibase

69561315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-ethyl-3-[2-(2-methoxyphenyl)acetyl]-N-methyl-thiazolidine-4-carboxamide (4S)-N-ethyl-3-[2-(2-methoxyphen…

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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	7.97	-18.15	0	5	0	50	322.43	5	↓ MOL2 SDF SMILES Flexibase

69569494

Analogs

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Popular Name: (4R)-N-tert-butyl-3-[2-(4-methoxyphenyl)acetyl]thiazolidine-4-carboxamide (4R)-N-tert-butyl-3-[2-(4-methox…

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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)	2.18	7.15	-15.51	1	5	0	59	336.457	5	↓ MOL2 SDF SMILES Flexibase

69569495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-tert-butyl-3-[2-(4-methoxyphenyl)acetyl]thiazolidine-4-carboxamide (4S)-N-tert-butyl-3-[2-(4-methox…

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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)	2.18	7.3	-17.1	1	5	0	59	336.457	5	↓ MOL2 SDF SMILES Flexibase

65523689

Analogs

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Popular Name: (4R)-N-isopropyl-3-[2-(2-methoxyphenyl)acetyl]-N-methyl-thiazolidine-4-carboxamide (4R)-N-isopropyl-3-[2-(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)	1.86	7.33	-16.05	0	5	0	50	336.457	5	↓ MOL2 SDF SMILES Flexibase

65523690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-isopropyl-3-[2-(2-methoxyphenyl)acetyl]-N-methyl-thiazolidine-4-carboxamide (4S)-N-isopropyl-3-[2-(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)	1.86	8.46	-17.92	0	5	0	50	336.457	5	↓ MOL2 SDF SMILES Flexibase

65591726

Analogs

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Popular Name: (4R)-3-[2-(3-methoxyphenyl)acetyl]-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-[2-(3-methoxyphenyl)acety…

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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)	2.18	7.74	-17.68	1	5	0	59	336.457	6	↓ MOL2 SDF SMILES Flexibase

65591728

Analogs

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Popular Name: (4R)-3-[2-(3-methoxyphenyl)acetyl]-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-[2-(3-methoxyphenyl)acety…

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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)	2.18	7.74	-17.62	1	5	0	59	336.457	6	↓ MOL2 SDF SMILES Flexibase

65591730

Analogs

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Popular Name: (4S)-3-[2-(3-methoxyphenyl)acetyl]-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-[2-(3-methoxyphenyl)acety…

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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)	2.18	7.9	-17.6	1	5	0	59	336.457	6	↓ MOL2 SDF SMILES Flexibase

65591732

Analogs

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Popular Name: (4S)-3-[2-(3-methoxyphenyl)acetyl]-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-[2-(3-methoxyphenyl)acety…

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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)	2.18	7.9	-17.64	1	5	0	59	336.457	6	↓ MOL2 SDF SMILES Flexibase

37296023

Analogs

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Popular Name: (4S)-3-[2-(2-methoxyphenyl)acetyl]thiazolidine-4-carboxylic (4S)-3-[2-(2-methoxyphenyl)acety…

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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)	-0.37	6.56	-56.19	0	5	-1	70	280.325	4	↓ MOL2 SDF SMILES Flexibase

37296025

Analogs

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Popular Name: (4R)-3-[2-(2-methoxyphenyl)acetyl]thiazolidine-4-carboxylic (4R)-3-[2-(2-methoxyphenyl)acety…

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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)	-0.37	7.12	-57.04	0	5	-1	70	280.325	4	↓ MOL2 SDF SMILES Flexibase

37331257

Analogs

53141691
53141693

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Popular Name: (4S)-3-[2-(p-tolyl)acetyl]thiazolidine-4-carboxylic (4S)-3-[2-(p-tolyl)acetyl]thiazo…

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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)	0.07	7.87	-55.22	0	4	-1	60	264.326	3	↓ MOL2 SDF SMILES Flexibase

37331259

Analogs

53141691
53141693

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[2-(p-tolyl)acetyl]thiazolidine-4-carboxylic (4R)-3-[2-(p-tolyl)acetyl]thiazo…

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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)	0.07	8.43	-54.31	0	4	-1	60	264.326	3	↓ MOL2 SDF SMILES Flexibase

67730829

Analogs

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Popular Name: (4R)-N-tert-butyl-3-(2-phenylacetyl)thiazolidine-4-carboxamide (4R)-N-tert-butyl-3-(2-phenylace…

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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)	2.12	7.84	-14.2	1	4	0	49	306.431	4	↓ MOL2 SDF SMILES Flexibase

67730831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-tert-butyl-3-(2-phenylacetyl)thiazolidine-4-carboxamide (4S)-N-tert-butyl-3-(2-phenylace…

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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)	2.12	8	-15.45	1	4	0	49	306.431	4	↓ MOL2 SDF SMILES Flexibase

67730872

Analogs

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Popular Name: (4R)-N-tert-butyl-3-[2-(3-methoxyphenyl)acetyl]thiazolidine-4-carboxamide (4R)-N-tert-butyl-3-[2-(3-methox…

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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	7.14	-16.73	1	5	0	59	336.457	5	↓ MOL2 SDF SMILES Flexibase

67730875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-tert-butyl-3-[2-(3-methoxyphenyl)acetyl]thiazolidine-4-carboxamide (4S)-N-tert-butyl-3-[2-(3-methox…

Find On: PubMed — Wikipedia — Google

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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	7.3	-16.53	1	5	0	59	336.457	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 30544
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 = 30544 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

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