ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36215669

Analogs

13596637
13596640

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5R)-2-[(Z)-(2,4-dimethoxyphenyl)methylenehydrazono]-5-methyl-3-(o-tolylmethyl)thiazolidin-4-one (2Z,5R)-2-[(Z)-(2,4-dimethoxyphe…

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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)	3.60	10.1	-8.35	0	6	0	64	397.5	6	↓ MOL2 SDF SMILES Flexibase

36215975

Analogs

13598592
13598595

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5R)-2-[(Z)-(4-bromophenyl)methylenehydrazono]-5-methyl-3-(o-tolylmethyl)thiazolidin-4-one (2Z,5R)-2-[(Z)-(4-bromophenyl)me…

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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)	4.37	12.56	-8.77	0	4	0	45	416.344	4	↓ MOL2 SDF SMILES Flexibase

36215978

Analogs

51366780
13598601
13598598

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5R)-2-[(Z)-benzylidenehydrazono]-5-methyl-3-(o-tolylmethyl)thiazolidin-4-one (2Z,5R)-2-[(Z)-benzylidenehydraz…

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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)	3.56	11.89	-9.07	0	4	0	45	337.448	4	↓ MOL2 SDF SMILES Flexibase

4888150

Analogs

4888151
4952267
4952275
4956553
4956558

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-5-ethyl-2-[(4-methoxyphenyl)methyleneaminoimino]thiazolidin-4-one 3-benzyl-5-ethyl-2-[(4-methoxyph…

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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)	3.72	2.36	-8.04	0	5	0	54	367.474	6	↓ MOL2 SDF SMILES Flexibase

4888151

Analogs

5025687
5791253
33918725
33928247
36093481

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-5-ethyl-2-[(4-methoxyphenyl)methyleneaminoimino]thiazolidin-4-one 3-benzyl-5-ethyl-2-[(4-methoxyph…

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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)	3.72	2.31	-8.01	0	5	0	54	367.474	6	↓ MOL2 SDF SMILES Flexibase

4888194

Analogs

2340921

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-dimethylaminophenyl)methyleneaminoimino]-5-ethyl-3-[(4-methoxyphenyl)methyl]thiazolidin-4-one 2-[(4-dimethylaminophenyl)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)	3.82	2.14	-8.85	0	6	0	57	410.543	7	↓ MOL2 SDF SMILES Flexibase

4888229

Analogs

2340957

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-2-[(2,4-dimethylphenyl)methyleneaminoimino]-5-propyl-thiazolidin-4-one 3-benzyl-2-[(2,4-dimethylphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.04	2.93	-6.38	0	4	0	45	379.529	6	↓ MOL2 SDF SMILES Flexibase

4888250

Analogs

4888253
4911065
4911076
5738716
36093487

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(o-tolylmethyl)-5-propyl-2-(p-tolylmethyleneaminoimino)thiazolidin-4-one 3-(o-tolylmethyl)-5-propyl-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)	5.07	2.92	-6.41	0	4	0	45	379.529	6	↓ MOL2 SDF SMILES Flexibase

4888253

Analogs

4911065
4911076
5738716
36093487
51366905

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(o-tolylmethyl)-5-propyl-2-(p-tolylmethyleneaminoimino)thiazolidin-4-one 3-(o-tolylmethyl)-5-propyl-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)	5.07	2.63	-7.19	0	4	0	45	379.529	6	↓ MOL2 SDF SMILES Flexibase

4888291

Analogs

4901717
4901719
6409361
51366802
2341717

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-2-[(3,4-dimethoxyphenyl)methyleneaminoimino]-5-methyl-thiazolidin-4-one 3-benzyl-2-[(3,4-dimethoxyphenyl…

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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)	2.80	2.26	-10.09	0	6	0	63	383.473	6	↓ MOL2 SDF SMILES Flexibase

4888366

Analogs

4888369
4899230
4899231
5738740
36093483

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-5-propyl-2-(p-tolylmethyleneaminoimino)thiazolidin-4-one 3-benzyl-5-propyl-2-(p-tolylmeth…

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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)	4.67	2.75	-7.03	0	4	0	45	365.502	6	↓ MOL2 SDF SMILES Flexibase

4888369

Analogs

4899230
4899231
5738740
36093483
51366897

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-5-propyl-2-(p-tolylmethyleneaminoimino)thiazolidin-4-one 3-benzyl-5-propyl-2-(p-tolylmeth…

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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)	4.67	2.73	-7.1	0	4	0	45	365.502	6	↓ MOL2 SDF SMILES Flexibase

4888454

Analogs

4888457
4903619
4903625
5791211
36093472

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-2-benzylideneaminoimino-5-ethyl-thiazolidin-4-one 3-benzyl-2-benzylideneaminoimino…

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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)	3.66	2.33	-7.22	0	4	0	45	337.448	5	↓ MOL2 SDF SMILES Flexibase

4888457

Analogs

4903619
4903625
5791211
36093472
4888454

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-2-benzylideneaminoimino-5-ethyl-thiazolidin-4-one 3-benzyl-2-benzylideneaminoimino…

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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)	3.66	2.29	-7.28	0	4	0	45	337.448	5	↓ MOL2 SDF SMILES Flexibase

4888822

Analogs

13581988
51366815
2318138

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyleneaminoimino]-5-methyl-thiazolidin-4-one 3-[(4-fluorophenyl)methyl]-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)	3.38	2.9	-7.88	0	5	0	54	371.437	5	↓ MOL2 SDF SMILES Flexibase

4888981

Analogs

4888982
34388913
2360059

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethylphenyl)methyleneaminoimino]-3-[(4-fluorophenyl)methyl]-5-propyl-thiazolidin-4-one 2-[(2,4-dimethylphenyl)methylene…

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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)	5.21	3.74	-6.22	0	4	0	45	397.519	6	↓ MOL2 SDF SMILES Flexibase

4888982

Analogs

34388913
4888981
2360059

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethylphenyl)methyleneaminoimino]-3-[(4-fluorophenyl)methyl]-5-propyl-thiazolidin-4-one 2-[(2,4-dimethylphenyl)methylene…

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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)	5.21	3.78	-6.18	0	4	0	45	397.519	6	↓ MOL2 SDF SMILES Flexibase

4888990

Analogs

2360135

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-3-[(4-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyleneaminoimino]thiazolidin-4-one 5-ethyl-3-[(4-fluorophenyl)methy…

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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)	3.83	3.11	-8.39	0	5	0	54	385.464	6	↓ MOL2 SDF SMILES Flexibase

4889017

Analogs

4889018
4973862
51366799
2366239
2361302

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethoxyphenyl)methyleneaminoimino]-3-[(4-methoxyphenyl)methyl]-5-methyl-thiazolidin-4-one 2-[(2,4-dimethoxyphenyl)methylen…

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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)	3.26	2.55	-11.07	0	7	0	72	413.499	7	↓ MOL2 SDF SMILES Flexibase

4889018

Analogs

4973862
51366799
4889017
2366239

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethoxyphenyl)methyleneaminoimino]-3-[(4-methoxyphenyl)methyl]-5-methyl-thiazolidin-4-one 2-[(2,4-dimethoxyphenyl)methylen…

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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)	3.26	2.53	-11.15	0	7	0	72	413.499	7	↓ MOL2 SDF SMILES Flexibase

4889076

Analogs

4889077
33727612
2372729

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-2-[(3-nitrophenyl)methyleneaminoimino]-3-(o-tolylmethyl)thiazolidin-4-one 5-ethyl-2-[(3-nitrophenyl)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)	4.00	2.64	-12.72	0	7	0	90	396.472	6	↓ MOL2 SDF SMILES Flexibase

4889077

Analogs

33727612
4889076
2372729

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-2-[(3-nitrophenyl)methyleneaminoimino]-3-(o-tolylmethyl)thiazolidin-4-one 5-ethyl-2-[(3-nitrophenyl)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)	4.00	2.58	-12.26	0	7	0	90	396.472	6	↓ MOL2 SDF SMILES Flexibase

4889089

Analogs

4889090
33776419
2372839

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-dimethylaminophenyl)methyleneaminoimino]-5-ethyl-3-(o-tolylmethyl)thiazolidin-4-one 2-[(4-dimethylaminophenyl)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)	4.16	2.28	-8.03	0	5	0	48	394.544	6	↓ MOL2 SDF SMILES Flexibase

4889090

Analogs

33776419
4889089

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-dimethylaminophenyl)methyleneaminoimino]-5-ethyl-3-(o-tolylmethyl)thiazolidin-4-one 2-[(4-dimethylaminophenyl)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)	4.16	2.59	-9.31	0	5	0	48	394.544	6	↓ MOL2 SDF SMILES Flexibase

4889133

Analogs

4889134
4898770
4898771
4909540
4952063

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyleneaminoimino]-5-propyl-thiazolidin-4-one 3-[(4-methoxyphenyl)methyl]-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)	4.33	2.5	-8.77	0	6	0	63	411.527	8	↓ MOL2 SDF SMILES Flexibase

4889134

Analogs

4898770
4898771
4909540
4952063
4952071

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyleneaminoimino]-5-propyl-thiazolidin-4-one 3-[(4-methoxyphenyl)methyl]-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)	4.33	2.48	-8.82	0	6	0	63	411.527	8	↓ MOL2 SDF SMILES Flexibase

4889146

Analogs

4889147
33627908
2193966

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethoxyphenyl)methyleneaminoimino]-3-(o-tolylmethyl)-5-propyl-thiazolidin-4-one 2-[(2,4-dimethoxyphenyl)methylen…

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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)	4.66	3.1	-9.54	0	6	0	63	425.554	8	↓ MOL2 SDF SMILES Flexibase

4889147

Analogs

33627908
4889146
2193966

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethoxyphenyl)methyleneaminoimino]-3-(o-tolylmethyl)-5-propyl-thiazolidin-4-one 2-[(2,4-dimethoxyphenyl)methylen…

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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)	4.66	3.07	-10.07	0	6	0	63	425.554	8	↓ MOL2 SDF SMILES Flexibase

4889207

Analogs

4889208
51366791
2206092

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)methyleneaminoimino]-3-[(4-methoxyphenyl)methyl]-5-methyl-thiazolidin-4-one 2-[(4-chlorophenyl)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)	3.89	2.01	-8.39	0	5	0	54	387.892	5	↓ MOL2 SDF SMILES Flexibase

4889208

Analogs

51366791
4889207
2206092

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)methyleneaminoimino]-3-[(4-methoxyphenyl)methyl]-5-methyl-thiazolidin-4-one 2-[(4-chlorophenyl)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)	3.89	1.98	-8.39	0	5	0	54	387.892	5	↓ MOL2 SDF SMILES Flexibase

4889257

Analogs

4889258
6636393
2206529

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)methyleneaminoimino]-3-[(4-methoxyphenyl)methyl]-5-propyl-thiazolidin-4-one 2-[(4-chlorophenyl)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)	4.95	2.33	-7.73	0	5	0	54	415.946	7	↓ MOL2 SDF SMILES Flexibase

4889258

Analogs

6636393
4889257
2206529

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)methyleneaminoimino]-3-[(4-methoxyphenyl)methyl]-5-propyl-thiazolidin-4-one 2-[(4-chlorophenyl)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)	4.95	2.31	-7.78	0	5	0	54	415.946	7	↓ MOL2 SDF SMILES Flexibase

4889274

Analogs

4889275
13598598
13598601
33912771
36215978

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Popular Name: 5-methyl-3-(o-tolylmethyl)-2-(p-tolylmethyleneaminoimino)thiazolidin-4-one 5-methyl-3-(o-tolylmethyl)-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)	4.01	2.84	-8.68	0	4	0	45	351.475	4	↓ MOL2 SDF SMILES Flexibase

4889275

Analogs

13598598
13598601
33912771
36215978
51366780

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-3-(o-tolylmethyl)-2-(p-tolylmethyleneaminoimino)thiazolidin-4-one 5-methyl-3-(o-tolylmethyl)-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)	4.01	2.93	-8.92	0	4	0	45	351.475	4	↓ MOL2 SDF SMILES Flexibase

4889293

Analogs

4889294
4906662
4906667
4939542
4939549

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Popular Name: 5-butyl-3-[(4-methoxyphenyl)methyl]-2-(p-tolylmethyleneaminoimino)thiazolidin-4-one 5-butyl-3-[(4-methoxyphenyl)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)	5.23	2.87	-7.75	0	5	0	54	409.555	8	↓ MOL2 SDF SMILES Flexibase

4889294

Analogs

4906662
4906667
4939542
4939549
5093489

Draw Identity 99% 90% 80% 70%

Popular Name: 5-butyl-3-[(4-methoxyphenyl)methyl]-2-(p-tolylmethyleneaminoimino)thiazolidin-4-one 5-butyl-3-[(4-methoxyphenyl)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)	5.23	2.9	-7.83	0	5	0	54	409.555	8	↓ MOL2 SDF SMILES Flexibase

4889304

Analogs

4889305

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Popular Name: 3-benzyl-5-butyl-2-[(2,4-dimethylphenyl)methyleneaminoimino]thiazolidin-4-one 3-benzyl-5-butyl-2-[(2,4-dimethy…

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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)	5.55	3.07	-6.35	0	4	0	45	393.556	7	↓ MOL2 SDF SMILES Flexibase

4889305

Analogs

4889304

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-5-butyl-2-[(2,4-dimethylphenyl)methyleneaminoimino]thiazolidin-4-one 3-benzyl-5-butyl-2-[(2,4-dimethy…

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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)	5.55	3.07	-6.27	0	4	0	45	393.556	7	↓ MOL2 SDF SMILES Flexibase

4889379

Analogs

2219315

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethoxyphenyl)methyleneaminoimino]-3-[(4-fluorophenyl)methyl]-5-methyl-thiazolidin-4-one 2-[(3,4-dimethoxyphenyl)methylen…

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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)	2.97	3	-9.95	0	6	0	63	401.463	6	↓ MOL2 SDF SMILES Flexibase

4889387

Analogs

4906190
4906202
4935780
4935783
5071584

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-2-[(4-methoxyphenyl)methyleneaminoimino]-5-methyl-thiazolidin-4-one 3-benzyl-2-[(4-methoxyphenyl)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)	3.21	2.15	-8.45	0	5	0	54	353.447	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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