ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

44827285

Analogs

44827286

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2E,5S)-2-(3-ethylphenyl)imino-4-oxo-thiazolidin-5-yl]-N-(p-tolyl)acetamide 2-[(2E,5S)-2-(3-ethylphenyl)imin…

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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)	3.81	9.12	-10.98	2	5	0	71	367.474	5	↓ MOL2 SDF SMILES Flexibase

44827286

Analogs

44827285

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2E,5R)-2-(3-ethylphenyl)imino-4-oxo-thiazolidin-5-yl]-N-(p-tolyl)acetamide 2-[(2E,5R)-2-(3-ethylphenyl)imin…

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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)	3.81	9.12	-11.18	2	5	0	71	367.474	5	↓ MOL2 SDF SMILES Flexibase

44827288

Analogs

44827291
5795084
5795095

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2E,5S)-2-(3-ethylphenyl)imino-4-oxo-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide 2-[(2E,5S)-2-(3-ethylphenyl)imin…

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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)	3.53	8.51	-11.72	2	5	0	71	371.437	5	↓ MOL2 SDF SMILES Flexibase

44827291

Analogs

5795084
5795095
44827288

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2E,5R)-2-(3-ethylphenyl)imino-4-oxo-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide 2-[(2E,5R)-2-(3-ethylphenyl)imin…

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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)	3.53	8.51	-11.93	2	5	0	71	371.437	5	↓ MOL2 SDF SMILES Flexibase

44827381

Analogs

44827384

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-[(2E,5S)-2-(3-ethylphenyl)imino-4-oxo-thiazolidin-5-yl]acetamide N-(2,4-difluorophenyl)-2-[(2E,5S…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	8.62	-9.27	2	5	0	71	389.427	5	↓ MOL2 SDF SMILES Flexibase

44827384

Analogs

44827381

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-[(2E,5R)-2-(3-ethylphenyl)imino-4-oxo-thiazolidin-5-yl]acetamide N-(2,4-difluorophenyl)-2-[(2E,5R…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	8.61	-9.63	2	5	0	71	389.427	5	↓ MOL2 SDF SMILES Flexibase

44827387

Analogs

44827390

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[(2E,5S)-2-(3-ethylphenyl)imino-4-oxo-thiazolidin-5-yl]acetamide N-(2,5-dimethylphenyl)-2-[(2E,5S…

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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)	4.19	9.96	-10.97	2	5	0	71	381.501	5	↓ MOL2 SDF SMILES Flexibase

44827390

Analogs

44827387

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[(2E,5R)-2-(3-ethylphenyl)imino-4-oxo-thiazolidin-5-yl]acetamide N-(2,5-dimethylphenyl)-2-[(2E,5R…

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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)	4.19	9.96	-11.19	2	5	0	71	381.501	5	↓ MOL2 SDF SMILES Flexibase

44827398

Analogs

44827401

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[(2E,5S)-2-(3-ethylphenyl)imino-4-oxo-thiazolidin-5-yl]acetamide N-(2-chlorophenyl)-2-[(2E,5S)-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)	4.00	9.08	-9.25	2	5	0	71	387.892	5	↓ MOL2 SDF SMILES Flexibase

44827401

Analogs

44827398

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[(2E,5R)-2-(3-ethylphenyl)imino-4-oxo-thiazolidin-5-yl]acetamide N-(2-chlorophenyl)-2-[(2E,5R)-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)	4.00	9.07	-9.56	2	5	0	71	387.892	5	↓ MOL2 SDF SMILES Flexibase

17992069

Analogs

7611726
7611727

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-[(2Z,5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-thiazolidin-5-yl]acetamide N-(2,3-dimethylphenyl)-2-[(2Z,5R…

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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)	3.50	9.92	-12.15	1	6	0	71	411.527	7	↓ MOL2 SDF SMILES Flexibase

17993280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetylphenyl)-2-[(2Z,5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-thiazolidin-5-yl]acetamide N-(4-acetylphenyl)-2-[(2Z,5R)-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)	2.60	8.81	-15.2	1	7	0	88	425.51	8	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.60	9.01	-15.3	1	7	0	88	425.51	8	↓ MOL2 SDF SMILES Flexibase

17994981

Analogs

17085255
17085256

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[3-isobutyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide N-(2,4-dimethylphenyl)-2-[3-isob…

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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	12.21	-10.15	1	5	0	62	409.555	6	↓ MOL2 SDF SMILES Flexibase

11990722

Analogs

11990723
17085089
17085090

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(5S)-3-allyl-5-[2-[(4-bromophenyl)amino]-2-oxo-ethyl]-4-oxo-thiazolidin-2-ylidene]amino]benzoic 4-[[(5S)-3-allyl-5-[2-[(4-bromop…

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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)	4.08	11.09	-55.65	1	7	-1	102	487.355	7	↓ MOL2 SDF SMILES Flexibase

11990723

Analogs

17085089
17085090
11990722

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(5R)-3-allyl-5-[2-[(4-bromophenyl)amino]-2-oxo-ethyl]-4-oxo-thiazolidin-2-ylidene]amino]benzoic 4-[[(5R)-3-allyl-5-[2-[(4-bromop…

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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)	4.08	11.09	-54.66	1	7	-1	102	487.355	7	↓ MOL2 SDF SMILES Flexibase

11990724

Analogs

11990725
33770311
33770312

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(5S)-3-allyl-5-[2-[(4-chlorophenyl)amino]-2-oxo-ethyl]-4-oxo-thiazolidin-2-ylidene]amino]benzoic 4-[[(5S)-3-allyl-5-[2-[(4-chloro…

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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)	3.95	10.98	-55.72	1	7	-1	102	442.904	7	↓ MOL2 SDF SMILES Flexibase

11990725

Analogs

33770311
33770312
11990724

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(5R)-3-allyl-5-[2-[(4-chlorophenyl)amino]-2-oxo-ethyl]-4-oxo-thiazolidin-2-ylidene]amino]benzoic 4-[[(5R)-3-allyl-5-[2-[(4-chloro…

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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)	3.95	10.98	-54.64	1	7	-1	102	442.904	7	↓ MOL2 SDF SMILES Flexibase

11990726

Analogs

11990727
16712609
16712610

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(5S)-3-allyl-5-(2-anilino-2-oxo-ethyl)-4-oxo-thiazolidin-2-ylidene]amino]benzoic 4-[[(5S)-3-allyl-5-(2-anilino-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)	3.27	10.46	-55.92	1	7	-1	102	408.459	7	↓ MOL2 SDF SMILES Flexibase

11990727

Analogs

16712609
16712610
11990726

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(5R)-3-allyl-5-(2-anilino-2-oxo-ethyl)-4-oxo-thiazolidin-2-ylidene]amino]benzoic 4-[[(5R)-3-allyl-5-(2-anilino-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)	3.27	10.46	-54.83	1	7	-1	102	408.459	7	↓ MOL2 SDF SMILES Flexibase

12538327

Analogs

12538328

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z,5S)-3-allyl-2-[4-(difluoromethylsulfanyl)phenyl]imino-4-oxo-thiazolidin-5-yl]-N-(2,3-dichloro 2-[(2Z,5S)-3-allyl-2-[4-(difluor…

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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)	5.62	11.87	-10.53	1	5	0	62	516.422	8	↓ MOL2 SDF SMILES Flexibase

12538328

Analogs

12538327

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z,5R)-3-allyl-2-[4-(difluoromethylsulfanyl)phenyl]imino-4-oxo-thiazolidin-5-yl]-N-(2,3-dichloro 2-[(2Z,5R)-3-allyl-2-[4-(difluor…

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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)	5.62	11.87	-10.19	1	5	0	62	516.422	8	↓ MOL2 SDF SMILES Flexibase

14009164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z,5R)-3-ethyl-4-oxo-2-phenylimino-thiazolidin-5-yl]-N-phenyl-acetamide 2-[(2Z,5R)-3-ethyl-4-oxo-2-pheny…

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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)	3.10	9.38	-10.49	1	5	0	62	353.447	5	↓ MOL2 SDF SMILES Flexibase

14009167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z,5S)-3-ethyl-4-oxo-2-phenylimino-thiazolidin-5-yl]-N-phenyl-acetamide 2-[(2Z,5S)-3-ethyl-4-oxo-2-pheny…

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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)	3.10	9.38	-10.71	1	5	0	62	353.447	5	↓ MOL2 SDF SMILES Flexibase

14009170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z,5R)-3-ethyl-4-oxo-2-phenylimino-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide 2-[(2Z,5R)-3-ethyl-4-oxo-2-pheny…

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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)	3.15	8.67	-11.42	1	6	0	71	383.473	6	↓ MOL2 SDF SMILES Flexibase

14009173

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z,5S)-3-ethyl-4-oxo-2-phenylimino-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide 2-[(2Z,5S)-3-ethyl-4-oxo-2-pheny…

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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)	3.15	8.67	-11.67	1	6	0	71	383.473	6	↓ MOL2 SDF SMILES Flexibase

14009176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z,5R)-3-ethyl-2-(4-methoxyphenyl)imino-4-oxo-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide 2-[(2Z,5R)-3-ethyl-2-(4-methoxyp…

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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	7.95	-12.35	1	7	0	80	413.499	7	↓ MOL2 SDF SMILES Flexibase

14009178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z,5S)-3-ethyl-2-(4-methoxyphenyl)imino-4-oxo-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide 2-[(2Z,5S)-3-ethyl-2-(4-methoxyp…

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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	7.95	-12.43	1	7	0	80	413.499	7	↓ MOL2 SDF SMILES Flexibase

14009979

Analogs

8751446
8751454

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z,5S)-3-allyl-2-(4-fluorophenyl)imino-4-oxo-thiazolidin-5-yl]-N-(3-chlorophenyl)acetamide 2-[(2Z,5S)-3-allyl-2-(4-fluoroph…

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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)	4.18	10.52	-11.69	1	5	0	62	417.893	6	↓ MOL2 SDF SMILES Flexibase

14009982

Analogs

8751446
8751454

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z,5R)-3-allyl-2-(4-fluorophenyl)imino-4-oxo-thiazolidin-5-yl]-N-(3-chlorophenyl)acetamide 2-[(2Z,5R)-3-allyl-2-(4-fluoroph…

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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)	4.18	10.52	-11.17	1	5	0	62	417.893	6	↓ MOL2 SDF SMILES Flexibase

3591274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z,5R)-2-(2,6-dimethylphenyl)imino-4-keto-3-propyl-thiazolidin-5-yl]-N-(2-methoxy-5-nitro-phenyl 2-[(2Z,5R)-2-(2,6-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)	4.34	11.98	-17.97	1	9	0	117	470.551	8	↓ MOL2 SDF SMILES Flexibase

3591277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z,5S)-2-(2,6-dimethylphenyl)imino-4-keto-3-propyl-thiazolidin-5-yl]-N-(2-methoxy-5-nitro-phenyl 2-[(2Z,5S)-2-(2,6-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)	4.34	11.98	-17.9	1	9	0	117	470.551	8	↓ MOL2 SDF SMILES Flexibase

3591299

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[(2Z,5R)-2-(2,6-dimethylphenyl)imino-4-keto-3-propyl-thiazolidin-5-yl]acet N-(3,4-dimethoxyphenyl)-2-[(2Z,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	11.11	-15.54	1	7	0	80	455.58	8	↓ MOL2 SDF SMILES Flexibase

3591304

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[(2Z,5S)-2-(2,6-dimethylphenyl)imino-4-keto-3-propyl-thiazolidin-5-yl]acet N-(3,4-dimethoxyphenyl)-2-[(2Z,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	11.11	-15.57	1	7	0	80	455.58	8	↓ MOL2 SDF SMILES Flexibase

3591437

Analogs

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Popular Name: 2-[(2Z,5R)-2-(3,4-dimethylphenyl)imino-4-keto-3-propyl-thiazolidin-5-yl]-N-(2-methoxy-5-nitro-phenyl 2-[(2Z,5R)-2-(3,4-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)	4.37	11.46	-17.72	1	9	0	117	470.551	8	↓ MOL2 SDF SMILES Flexibase

3591441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z,5S)-2-(3,4-dimethylphenyl)imino-4-keto-3-propyl-thiazolidin-5-yl]-N-(2-methoxy-5-nitro-phenyl 2-[(2Z,5S)-2-(3,4-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)	4.37	11.47	-17.78	1	9	0	117	470.551	8	↓ MOL2 SDF SMILES Flexibase

3591487

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[(2Z,5R)-4-keto-3-(2-methoxyethyl)-2-(o-tolylimino)thiazolidin-5-yl]a N-(3-chloro-2-methyl-phenyl)-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)	4.13	11.21	-10.48	1	6	0	71	445.972	7	↓ MOL2 SDF SMILES Flexibase

3591491

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[(2Z,5S)-4-keto-3-(2-methoxyethyl)-2-(o-tolylimino)thiazolidin-5-yl]a N-(3-chloro-2-methyl-phenyl)-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)	4.13	11.21	-11.11	1	6	0	71	445.972	7	↓ MOL2 SDF SMILES Flexibase

3591503

Analogs

13098368
13098369

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Popular Name: N-(2-fluorophenyl)-2-[(2Z,5R)-4-keto-2-(o-tolylimino)-3-propyl-thiazolidin-5-yl]acetamide N-(2-fluorophenyl)-2-[(2Z,5R)-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)	4.11	11.12	-9.23	1	5	0	62	399.491	6	↓ MOL2 SDF SMILES Flexibase

3591508

Analogs

13098368
13098369

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-2-[(2Z,5S)-4-keto-2-(o-tolylimino)-3-propyl-thiazolidin-5-yl]acetamide N-(2-fluorophenyl)-2-[(2Z,5S)-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)	4.11	11.12	-9.21	1	5	0	62	399.491	6	↓ MOL2 SDF SMILES Flexibase

3591541

Analogs

5156524
5156526
13098366
13098367
13098368

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-2-[(2Z,5R)-3-isobutyl-4-keto-2-(o-tolylimino)thiazolidin-5-yl]acetamide N-(2-fluorophenyl)-2-[(2Z,5R)-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)	4.36	11.59	-8.66	1	5	0	62	413.518	6	↓ MOL2 SDF SMILES Flexibase

3591545

Analogs

5156524
5156526
13098366
13098367
13098368

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-2-[(2Z,5S)-3-isobutyl-4-keto-2-(o-tolylimino)thiazolidin-5-yl]acetamide N-(2-fluorophenyl)-2-[(2Z,5S)-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)	4.36	11.59	-8.68	1	5	0	62	413.518	6	↓ MOL2 SDF SMILES Flexibase

3591553

Analogs

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Popular Name: N-(2-fluorophenyl)-2-[(2Z,5S)-4-keto-3-(2-methoxyethyl)-2-(o-tolylimino)thiazolidin-5-yl]acetamide N-(2-fluorophenyl)-2-[(2Z,5S)-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)	3.22	10	-10.52	1	6	0	71	415.49	7	↓ MOL2 SDF SMILES Flexibase

3591555

Analogs

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Popular Name: N-(2-bromophenyl)-2-[(2Z,5R)-4-keto-2-(o-tolylimino)-3-propyl-thiazolidin-5-yl]acetamide N-(2-bromophenyl)-2-[(2Z,5R)-4-k…

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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)	4.76	11.75	-8.6	1	5	0	62	460.397	6	↓ MOL2 SDF SMILES Flexibase

3591559

Analogs

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Popular Name: N-(2-bromophenyl)-2-[(2Z,5S)-4-keto-2-(o-tolylimino)-3-propyl-thiazolidin-5-yl]acetamide N-(2-bromophenyl)-2-[(2Z,5S)-4-k…

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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)	4.76	11.75	-8.58	1	5	0	62	460.397	6	↓ MOL2 SDF SMILES Flexibase

3591617

Analogs

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Popular Name: 2-[(2Z,5R)-4-keto-2-(o-tolylimino)-3-propyl-thiazolidin-5-yl]-N-(2-methoxy-5-nitro-phenyl)acetamide 2-[(2Z,5R)-4-keto-2-(o-tolylimin…

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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)	3.94	11.03	-17.65	1	9	0	117	456.524	8	↓ MOL2 SDF SMILES Flexibase

3591622

Analogs

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Popular Name: 2-[(2Z,5S)-4-keto-2-(o-tolylimino)-3-propyl-thiazolidin-5-yl]-N-(2-methoxy-5-nitro-phenyl)acetamide 2-[(2Z,5S)-4-keto-2-(o-tolylimin…

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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)	3.94	11.03	-17.81	1	9	0	117	456.524	8	↓ MOL2 SDF SMILES Flexibase

3591644

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[(2Z,5R)-4-keto-2-(o-tolylimino)-3-propyl-thiazolidin-5-yl]acetamide N-(3,4-dimethoxyphenyl)-2-[(2Z,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	10.14	-15.36	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

3591648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-2-[(2Z,5S)-4-keto-2-(o-tolylimino)-3-propyl-thiazolidin-5-yl]acetamide N-(3,4-dimethoxyphenyl)-2-[(2Z,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	10.15	-15.12	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

54979075

Analogs

8306690
8306691

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2E,5R)-2-(3,4-dimethylphenyl)imino-3-methyl-4-oxo-thiazolidin-5-yl]-N-(o-tolyl)acetamide 2-[(2E,5R)-2-(3,4-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)	3.94	10.08	-11	1	5	0	62	381.501	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.28	10.74	-31.97	2	5	1	61	382.509	5	↓ MOL2 SDF SMILES Flexibase

54979076

Analogs

12462902
12462903

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2E,5S)-2-(3,4-dimethylphenyl)imino-3-methyl-4-oxo-thiazolidin-5-yl]-N-(o-tolyl)acetamide 2-[(2E,5S)-2-(3,4-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)	3.94	10.07	-11.16	1	5	0	62	381.501	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.28	10.76	-31.68	2	5	1	61	382.509	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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