ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

503

Analogs

4213857
6030498
6037249

Draw Identity 99% 90% 80% 70%

Popular Name: KM-1146 KM-1146

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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)	1.38	-1.11	-9.04	1	4	0	47	253.323	3	↓ MOL2 SDF SMILES Flexibase

752039

Analogs

1228721

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-5-methyl-2-phenyl-thiazolidin-4-one (2S,5R)-3-[(2S)-2-hydroxy-2-(4-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)	2.75	8.79	-11.15	1	6	0	86	358.419	5	↓ MOL2 SDF SMILES Flexibase

6728158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methyl-4-oxo-2-(2-thienyl)thiazolidin-3-yl]acetic 2-[5-methyl-4-oxo-2-(2-thienyl)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)	0.21	-0.87	-49.7	0	4	-1	60	256.328	3	↓ MOL2 SDF SMILES Flexibase

6728159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methyl-4-oxo-2-(2-thienyl)thiazolidin-3-yl]acetic 2-[5-methyl-4-oxo-2-(2-thienyl)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)	0.21	-0.75	-50.2	0	4	-1	60	256.328	3	↓ MOL2 SDF SMILES Flexibase

6728160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methyl-4-oxo-2-(2-thienyl)thiazolidin-3-yl]acetic 2-[5-methyl-4-oxo-2-(2-thienyl)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)	0.21	6.63	-48.26	0	4	-1	60	256.328	3	↓ MOL2 SDF SMILES Flexibase

6728161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methyl-4-oxo-2-(2-thienyl)thiazolidin-3-yl]acetic 2-[5-methyl-4-oxo-2-(2-thienyl)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)	0.21	-0.79	-50.08	0	4	-1	60	256.328	3	↓ MOL2 SDF SMILES Flexibase

7723157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonylmethyl]thiazolidin-4-one 3-[[4-(2-fluorophenyl)sulfonylpi…

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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)	0.30	-4.81	-19.45	0	7	0	77	387.458	4	↓ MOL2 SDF SMILES Flexibase

32472863

Analogs

20930271
20930278

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-2-phenyl-propyl)-2-(4-oxothiazolidin-3-yl)acetamide N-(2-methyl-2-phenyl-propyl)-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)	2.42	6.55	-16.64	1	4	0	49	292.404	5	↓ MOL2 SDF SMILES Flexibase

52878962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(4-oxothiazolidin-3-yl)acetyl]amino]-2-phenyl-propanoic (2R)-2-[[2-(4-oxothiazolidin-3-y…

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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)	0.92	6.6	-59.36	1	6	-1	90	307.351	5	↓ MOL2 SDF SMILES Flexibase

52878964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(4-oxothiazolidin-3-yl)acetyl]amino]-2-phenyl-propanoic (2S)-2-[[2-(4-oxothiazolidin-3-y…

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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)	0.92	6.6	-65.62	1	6	-1	90	307.351	5	↓ MOL2 SDF SMILES Flexibase

53298925

Analogs

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Popular Name: (2S)-2-(2-bromophenyl)-3-[5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-yl]thiazolidin-4-one (2S)-2-(2-bromophenyl)-3-[5-(car…

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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)	4.90	11.41	-12.88	0	6	0	64	505.397	4	↓ MOL2 SDF SMILES Flexibase

53298928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-bromophenyl)-3-[5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-yl]thiazolidin-4-one (2R)-2-(2-bromophenyl)-3-[5-(car…

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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)	4.90	11.73	-13.44	0	6	0	64	505.397	4	↓ MOL2 SDF SMILES Flexibase

53312357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-hydroxyphenyl)thiazolidin-4-one (2S)-3-[5-(carbazol-9-ylmethyl)-…

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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)	4.48	11.28	-14.33	1	6	0	71	458.568	4	↓ MOL2 SDF SMILES Flexibase

53312360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-hydroxyphenyl)thiazolidin-4-one (2R)-3-[5-(carbazol-9-ylmethyl)-…

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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)	4.48	11.28	-14.58	1	6	0	71	458.568	4	↓ MOL2 SDF SMILES Flexibase

35896957

Analogs

35896959

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8aR)-8,8-dimethyl-3-oxo-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8aR)-8,8-dimethyl-3-oxo-6,8a…

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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)	-1.62	-0.45	-11.6	3	6	0	79	258.347	2	↓ MOL2 SDF SMILES Flexibase

35896959

Analogs

35896957

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8aS)-8,8-dimethyl-3-oxo-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8aS)-8,8-dimethyl-3-oxo-6,8a…

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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)	-1.62	-0.45	-11.52	3	6	0	79	258.347	2	↓ MOL2 SDF SMILES Flexibase

35896967

Analogs

35896969
35896970
35896972

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8S,8aR)-8-methyl-3-oxo-8-phenyl-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8S,8aR)-8-methyl-3-oxo-8-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)	-0.40	2.72	-11.26	3	6	0	79	320.418	3	↓ MOL2 SDF SMILES Flexibase

35896969

Analogs

35896970
35896972
35896967

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8R,8aR)-8-methyl-3-oxo-8-phenyl-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8R,8aR)-8-methyl-3-oxo-8-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)	-0.40	3.22	-11.27	3	6	0	79	320.418	3	↓ MOL2 SDF SMILES Flexibase

35896970

Analogs

35896972
35896967

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8S,8aS)-8-methyl-3-oxo-8-phenyl-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8S,8aS)-8-methyl-3-oxo-8-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)	-0.40	3.21	-11.08	3	6	0	79	320.418	3	↓ MOL2 SDF SMILES Flexibase

35896972

Analogs

35896967

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8R,8aS)-8-methyl-3-oxo-8-phenyl-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8R,8aS)-8-methyl-3-oxo-8-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)	-0.40	2.72	-11.58	3	6	0	79	320.418	3	↓ MOL2 SDF SMILES Flexibase

35896986

Analogs

2250724
2271270
4587274
4587276
4587277

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8R,8aR)-8-methyl-3-oxo-8-pentyl-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8R,8aR)-8-methyl-3-oxo-8-pen…

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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)	0.46	3.24	-11.14	3	6	0	79	314.455	6	↓ MOL2 SDF SMILES Flexibase

35896988

Analogs

2250724
2271270
4587274
4587276
4587277

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8S,8aR)-8-methyl-3-oxo-8-pentyl-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8S,8aR)-8-methyl-3-oxo-8-pen…

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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)	0.46	3.05	-11.35	3	6	0	79	314.455	6	↓ MOL2 SDF SMILES Flexibase

35896990

Analogs

2250724
2271270
4587274
4587276
4587277

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8R,8aS)-8-methyl-3-oxo-8-pentyl-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8R,8aS)-8-methyl-3-oxo-8-pen…

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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)	0.46	2.94	-11	3	6	0	79	314.455	6	↓ MOL2 SDF SMILES Flexibase

35896991

Analogs

2250724
2271270
4587274
4587276
4587277

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8S,8aS)-8-methyl-3-oxo-8-pentyl-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8S,8aS)-8-methyl-3-oxo-8-pen…

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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)	0.46	3.26	-11.21	3	6	0	79	314.455	6	↓ MOL2 SDF SMILES Flexibase

53342458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxothiazolidin-3-yl)acetamide N-[(R)-(2-methoxyphenyl)-(1-meth…

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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	6.26	-17.3	1	7	0	76	360.439	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.99	7.47	-41.04	2	7	1	78	361.447	6	↓ MOL2 SDF SMILES Flexibase

53342460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxothiazolidin-3-yl)acetamide N-[(S)-(2-methoxyphenyl)-(1-meth…

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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	6.19	-19.25	1	7	0	76	360.439	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.99	6.81	-35.9	2	7	1	78	361.447	6	↓ MOL2 SDF SMILES Flexibase

36108836

Analogs

11667044
11667047

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,4-dimethoxyphenyl)-3-[(4S,5S)-1,5-dimethyl-3-oxo-2-phenyl-pyrazolidin-4-yl]thiazolidin-4-o (2S)-2-(2,4-dimethoxyphenyl)-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)	2.89	7.91	-9.06	0	7	0	62	427.526	5	↓ MOL2 SDF SMILES Flexibase

36108837

Analogs

11667044
11667047

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,4-dimethoxyphenyl)-3-[(4R,5S)-1,5-dimethyl-3-oxo-2-phenyl-pyrazolidin-4-yl]thiazolidin-4-o (2S)-2-(2,4-dimethoxyphenyl)-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)	2.89	9.01	-13.69	0	7	0	62	427.526	5	↓ MOL2 SDF SMILES Flexibase

19990937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-3-benzyl-4-oxo-thiazolidin-2-yl]-N-(2-morpholinoethyl)benzamide 4-[(2S)-3-benzyl-4-oxo-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)	2.09	7.26	-14.39	1	6	0	62	425.554	7	↓ MOL2 SDF SMILES Flexibase

19990941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-3-benzyl-4-oxo-thiazolidin-2-yl]-N-(2-morpholinoethyl)benzamide 4-[(2R)-3-benzyl-4-oxo-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)	2.09	7.45	-14.43	1	6	0	62	425.554	7	↓ MOL2 SDF SMILES Flexibase

53409997

Analogs

37983108

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxothiazolidin-3-yl)acetamide N-[(1-methylpyrazol-4-yl)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)	-0.58	2.47	-15.95	1	6	0	67	254.315	4	↓ MOL2 SDF SMILES Flexibase

36129655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-2-(4-oxothiazolidin-3-yl)acetamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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)	-0.88	2.61	-15.4	1	5	0	61	244.316	5	↓ MOL2 SDF SMILES Flexibase

20888814

Analogs

22507349
25260159
25260164

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-2-(4-oxothiazolidin-3-yl)acetamide N-(2-furylmethyl)-2-(4-oxothiazo…

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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)	0.30	2.79	-14.99	1	5	0	63	240.284	4	↓ MOL2 SDF SMILES Flexibase

20892668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]thiazolidin-4-one 3-[2-(4-benzhydrylpiperazin-1-yl…

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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)	2.46	10.07	-14.22	0	5	0	44	395.528	5	↓ MOL2 SDF SMILES Flexibase

20898625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-oxothiazolidin-3-yl)-N-(3-pyridylmethyl)acetamide 2-(4-oxothiazolidin-3-yl)-N-(3-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)	-0.19	2.87	-15.64	1	5	0	62	251.311	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.19	3.32	-50.63	2	5	1	64	252.319	4	↓ MOL2 SDF SMILES Flexibase

20898816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-oxothiazolidin-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide 2-(4-oxothiazolidin-3-yl)-N'-(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)	2.49	5.99	-12.57	2	5	0	61	354.646	4	↓ MOL2 SDF SMILES Flexibase

53575969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-hexoxy-N'-[2-(4-oxothiazolidin-3-yl)acetyl]benzohydrazide 4-hexoxy-N'-[2-(4-oxothiazolidin…

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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)	2.44	6.79	-15.4	2	7	0	88	379.482	10	↓ MOL2 SDF SMILES Flexibase

36337984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-2-[[2-(4-oxothiazolidin-3-yl)acetyl]amino]pentanoic (2S)-2-methyl-2-[[2-(4-oxothiazo…

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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)	-1.22	4.88	-63.81	1	6	-1	90	273.334	6	↓ MOL2 SDF SMILES Flexibase

36337985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-2-[[2-(4-oxothiazolidin-3-yl)acetyl]amino]pentanoic (2R)-2-methyl-2-[[2-(4-oxothiazo…

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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)	-1.22	4.88	-56.49	1	6	-1	90	273.334	6	↓ MOL2 SDF SMILES Flexibase

12401756

Analogs

6704808
8873474

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-3-benzyl-4-oxo-thiazolidin-2-yl]-N-(2-isopropylphenyl)benzamide 4-[(2R)-3-benzyl-4-oxo-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)	4.90	0.97	-13.9	1	4	0	49	430.573	6	↓ MOL2 SDF SMILES Flexibase

22677157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-1-phenyl-benzimidazol-5-yl)-2-(4-oxothiazolidin-3-yl)acetamide N-(2-methyl-1-phenyl-benzimidazo…

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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)	2.11	9.12	-27.09	1	6	0	67	366.446	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.11	9.53	-37.31	2	6	1	68	367.454	4	↓ MOL2 SDF SMILES Flexibase

12402893

Analogs

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Popular Name: 5'-Hydroxyspiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decan)-4-one hydrate; LS-146360; Spiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decan)-4-one, 5'-hydroxy-, hydrate 5'-Hydroxyspiro(thiazolidine-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)	1.51	1.62	-6.88	2	3	0	49	239.34	0	↓ MOL2 SDF SMILES Flexibase

22681680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-chlorophenyl)-2-diethylamino-ethyl]-2-(4-oxothiazolidin-3-yl)acetamide N-[(2R)-2-(2-chlorophenyl)-2-die…

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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)	2.64	8.62	-52.62	2	5	1	54	370.926	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.64	7.09	-15.82	1	5	0	53	369.918	8	↓ MOL2 SDF SMILES Flexibase

22681684

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-chlorophenyl)-2-diethylamino-ethyl]-2-(4-oxothiazolidin-3-yl)acetamide N-[(2S)-2-(2-chlorophenyl)-2-die…

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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)	2.64	8.89	-44.77	2	5	1	54	370.926	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.64	6.98	-13.58	1	5	0	53	369.918	8	↓ MOL2 SDF SMILES Flexibase

12538781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-oxothiazolidin-3-yl)-N-(2-phenyl-4-quinolyl)acetamide 2-(4-oxothiazolidin-3-yl)-N-(2-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)	3.34	8.73	-20.15	1	5	0	62	363.442	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.34	8.94	-34.57	2	5	1	64	364.45	4	↓ MOL2 SDF SMILES Flexibase

12854577

Analogs

12854581
691210
691211
691217

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-3-benzyl-4-oxo-thiazolidin-2-yl]-N-[[4-(1-piperidyl)phenyl]methyl]benzamide 4-[(2S)-3-benzyl-4-oxo-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)	4.62	13.04	-11.17	1	5	0	53	485.653	7	↓ MOL2 SDF SMILES Flexibase

12854581

Analogs

691210
691211
691217

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-3-benzyl-4-oxo-thiazolidin-2-yl]-N-[[4-(1-piperidyl)phenyl]methyl]benzamide 4-[(2R)-3-benzyl-4-oxo-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)	4.62	13.26	-11.1	1	5	0	53	485.653	7	↓ MOL2 SDF SMILES Flexibase

12854593

Analogs

12854598

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-benzyl-2-[4-(indoline-1-carbonyl)phenyl]thiazolidin-4-one (2S)-3-benzyl-2-[4-(indoline-1-c…

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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)	4.15	12.41	-11.08	0	4	0	41	414.53	4	↓ MOL2 SDF SMILES Flexibase

12854598

Analogs

12854593

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-benzyl-2-[4-(indoline-1-carbonyl)phenyl]thiazolidin-4-one (2R)-3-benzyl-2-[4-(indoline-1-c…

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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)	4.15	13.52	-14.62	0	4	0	41	414.53	4	↓ MOL2 SDF SMILES Flexibase

12854613

Analogs

13675330

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-4-[(2S)-4-oxo-3-phenethyl-thiazolidin-2-yl]-N-phenyl-benzamide N-methyl-4-[(2S)-4-oxo-3-pheneth…

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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)	4.56	13.59	-13	0	4	0	41	416.546	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 334
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 = 334 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=334&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": "334"        

    });
</script>

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