ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

38731990

Analogs

38731996
38732123
38732125
40562409
40562423

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-pentyl-5-[[2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-pentyl-5-[[2-(1-piperidyl…

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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)	5.12	14.4	-7.74	0	4	0	38	425.623	6	↓ MOL2 SDF SMILES Flexibase

38731993

Analogs

38732124
38732365
38732469
38732471
38732473

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-isopentyl-5-[[2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-isopentyl-5-[[2-(1-piperi…

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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)	4.83	14.13	-7.64	0	4	0	38	425.623	5	↓ MOL2 SDF SMILES Flexibase

38731996

Analogs

38732126
38732365
38732475
40562409
40562423

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-hexyl-5-[[2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-hexyl-5-[[2-(1-piperidyl)…

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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)	5.63	15.18	-7.72	0	4	0	38	439.65	7	↓ MOL2 SDF SMILES Flexibase

38731999

Analogs

38732082
38732083
38732130
38732132
20310847

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(3-ethoxypropyl)-5-[[2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-(3-ethoxypropyl)-5-[[2-(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.81	12.87	-9.32	0	5	0	47	441.622	7	↓ MOL2 SDF SMILES Flexibase

38732082

Analogs

38732083
38732130
38732132
38731999
20310847

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(3-methoxypropyl)-5-[[6-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-o (5Z)-3-(3-methoxypropyl)-5-[[6-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	12.55	-8.99	0	5	0	47	441.622	6	↓ MOL2 SDF SMILES Flexibase

38732083

Analogs

38732130
38732132
38731999
38732082
20310847

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(3-ethoxypropyl)-5-[[6-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-on (5Z)-3-(3-ethoxypropyl)-5-[[6-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)	4.23	13.53	-8.95	0	5	0	47	455.649	7	↓ MOL2 SDF SMILES Flexibase

38732117

Analogs

12946491
20310790
20310803

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-methyl-5-[[8-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-methyl-5-[[8-methyl-2-(1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	12.02	-8.11	0	4	0	38	383.542	2	↓ MOL2 SDF SMILES Flexibase

38732118

Analogs

38732120
38732121
40562399
40562413

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-isopropyl-5-[[8-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-isopropyl-5-[[8-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)	4.32	13.07	-7.41	0	4	0	38	411.596	3	↓ MOL2 SDF SMILES Flexibase

38732119

Analogs

40562405
40562415

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-allyl-5-[[8-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-allyl-5-[[8-methyl-2-(1-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)	4.22	13.5	-7.75	0	4	0	38	409.58	4	↓ MOL2 SDF SMILES Flexibase

38732120

Analogs

38732121
40562401
40562403
40562417
40562419

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[8-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-3-[(1R)-1-methylpropyl]-2-thioxo-thiazolidin (5Z)-5-[[8-methyl-2-(1-piperidyl…

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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)	4.82	14.04	-7.23	0	4	0	38	425.623	4	↓ MOL2 SDF SMILES Flexibase

38732121

Analogs

40562401
40562403
40562417
40562419
38732118

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[8-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-3-[(1S)-1-methylpropyl]-2-thioxo-thiazolidin (5Z)-5-[[8-methyl-2-(1-piperidyl…

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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)	4.82	14.05	-7.2	0	4	0	38	425.623	4	↓ MOL2 SDF SMILES Flexibase

38732122

Analogs

40562407
40562421
40562523

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-isobutyl-5-[[8-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-isobutyl-5-[[8-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)	4.70	14.21	-7.44	0	4	0	38	425.623	4	↓ MOL2 SDF SMILES Flexibase

38732123

Analogs

38732125
38732126
40562409
40562423
40562427

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-butyl-5-[[8-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-butyl-5-[[8-methyl-2-(1-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)	5.02	14.45	-7.52	0	4	0	38	425.623	5	↓ MOL2 SDF SMILES Flexibase

38732124

Analogs

38732418
38732469
38732471
38732473
40562505

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-isopentyl-5-[[8-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-isopentyl-5-[[8-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)	5.23	15	-7.48	0	4	0	38	439.65	5	↓ MOL2 SDF SMILES Flexibase

38732125

Analogs

38732126
40562409
40562423
40562427
40562527

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[8-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-3-pentyl-2-thioxo-thiazolidin-4-one (5Z)-5-[[8-methyl-2-(1-piperidyl…

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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)	5.52	15.23	-7.4	0	4	0	38	439.65	6	↓ MOL2 SDF SMILES Flexibase

38732126

Analogs

38732418
40562409
40562423
40562427
40562429

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-hexyl-5-[[8-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-hexyl-5-[[8-methyl-2-(1-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)	6.03	16.02	-7.45	0	4	0	38	453.677	7	↓ MOL2 SDF SMILES Flexibase

38732129

Analogs

12948425
10233260
20310787

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(2-methoxyethyl)-5-[[8-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-on (5Z)-3-(2-methoxyethyl)-5-[[8-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)	3.56	12.18	-8.99	0	5	0	47	427.595	5	↓ MOL2 SDF SMILES Flexibase

38732130

Analogs

38732132
38731999
38732082
38732083
20310847

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(3-methoxypropyl)-5-[[8-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-o (5Z)-3-(3-methoxypropyl)-5-[[8-m…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	12.78	-9.27	0	5	0	47	441.622	6	↓ MOL2 SDF SMILES Flexibase

38732132

Analogs

38731999
38732082
38732083
38732130
20310847

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(3-ethoxypropyl)-5-[[8-methyl-2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-on (5Z)-3-(3-ethoxypropyl)-5-[[8-me…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	13.71	-9.1	0	5	0	47	455.649	7	↓ MOL2 SDF SMILES Flexibase

38732333

Analogs

38732405
38732457
38732458
40562491
40562511

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-3-propyl-2-thioxo-thiazolidin-4-one (5Z)-5-[[2-(4-methyl-1-piperidyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.30	13.44	-7.79	0	4	0	38	411.596	4	↓ MOL2 SDF SMILES Flexibase

38732365

Analogs

38732418
38732469
38732475
40562425
40562505

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-hexyl-5-[[2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-hexyl-5-[[2-(4-methyl-1-p…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.87	15.79	-7.61	0	4	0	38	453.677	7	↓ MOL2 SDF SMILES Flexibase

38732371

Analogs

38732424
38732481

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(2-methoxyethyl)-5-[[2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-on (5Z)-3-(2-methoxyethyl)-5-[[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)	3.40	11.89	-9.04	0	5	0	47	427.595	5	↓ MOL2 SDF SMILES Flexibase

38732373

Analogs

38732375
38732426
38732428
38732483
38732486

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(3-methoxypropyl)-5-[[2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-o (5Z)-3-(3-methoxypropyl)-5-[[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)	3.67	12.49	-9.33	0	5	0	47	441.622	6	↓ MOL2 SDF SMILES Flexibase

38732375

Analogs

38732426
38732428
38732483
38732486
38732373

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(3-ethoxypropyl)-5-[[2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-on (5Z)-3-(3-ethoxypropyl)-5-[[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)	4.05	13.48	-9.27	0	5	0	47	455.649	7	↓ MOL2 SDF SMILES Flexibase

38732405

Analogs

38732457
38732458
40562491
40562511
38732333

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[8-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-3-propyl-2-thioxo-thiazolidin-4-one (5Z)-5-[[8-methyl-2-(4-methyl-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.70	14.27	-7.52	0	4	0	38	425.623	4	↓ MOL2 SDF SMILES Flexibase

38732418

Analogs

38732469
38732471
38732475
40562525
40562527

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-hexyl-5-[[8-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-hexyl-5-[[8-methyl-2-(4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.27	16.62	-7.37	0	4	0	38	467.704	7	↓ MOL2 SDF SMILES Flexibase

38732424

Analogs

38732481
38732371

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(2-methoxyethyl)-5-[[8-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazol (5Z)-3-(2-methoxyethyl)-5-[[8-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)	3.80	12.79	-8.86	0	5	0	47	441.622	5	↓ MOL2 SDF SMILES Flexibase

38732426

Analogs

38732428
38732483
38732486
38732373
38732375

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(3-methoxypropyl)-5-[[8-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazo (5Z)-3-(3-methoxypropyl)-5-[[8-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	13.39	-9.14	0	5	0	47	455.649	6	↓ MOL2 SDF SMILES Flexibase

38732428

Analogs

38732483
38732486
38732373
38732375
38732426

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(3-ethoxypropyl)-5-[[8-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazol (5Z)-3-(3-ethoxypropyl)-5-[[8-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)	4.45	14.32	-9.01	0	5	0	47	469.676	7	↓ MOL2 SDF SMILES Flexibase

38732457

Analogs

38732458
40562491
40562511
38732333
38732405

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-3-propyl-2-thioxo-thiazolidin-4-one (5Z)-5-[[6-methyl-2-(4-methyl-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.72	14.09	-7.4	0	4	0	38	425.623	4	↓ MOL2 SDF SMILES Flexibase

38732458

Analogs

40562491
40562511
38732333
38732405
38732457

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-ethyl-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-ethyl-5-[[6-methyl-2-(4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.22	13.35	-7.61	0	4	0	38	411.596	3	↓ MOL2 SDF SMILES Flexibase

38732459

Analogs

40562493
40562513

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-methyl-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-methyl-5-[[6-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)	3.84	12.39	-7.82	0	4	0	38	397.569	2	↓ MOL2 SDF SMILES Flexibase

38732460

Analogs

38732463
38732465
40562495
40562499
40562501

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-isopropyl-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4- (5Z)-3-isopropyl-5-[[6-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)	4.58	13.45	-7.07	0	4	0	38	425.623	3	↓ MOL2 SDF SMILES Flexibase

38732462

Analogs

40562497
40562515

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-allyl-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-allyl-5-[[6-methyl-2-(4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.49	13.87	-7.45	0	4	0	38	423.607	4	↓ MOL2 SDF SMILES Flexibase

38732463

Analogs

38732465
40562495
40562499
40562501
40562519

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-3-[(1R)-1-methylpropyl]-2-thioxo-th (5Z)-5-[[6-methyl-2-(4-methyl-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.09	14.47	-6.95	0	4	0	38	439.65	4	↓ MOL2 SDF SMILES Flexibase

38732465

Analogs

38732460
38732463

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-3-[(1S)-1-methylpropyl]-2-thioxo-th (5Z)-5-[[6-methyl-2-(4-methyl-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.09	14.47	-6.92	0	4	0	38	439.65	4	↓ MOL2 SDF SMILES Flexibase

38732467

Analogs

40562407
40562421
40562503
40562523

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-isobutyl-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-o (5Z)-3-isobutyl-5-[[6-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)	4.97	14.59	-7.12	0	4	0	38	439.65	4	↓ MOL2 SDF SMILES Flexibase

38732469

Analogs

38732471
38732473
38732475
40562425
40562505

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-butyl-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-butyl-5-[[6-methyl-2-(4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.28	14.88	-7.32	0	4	0	38	439.65	5	↓ MOL2 SDF SMILES Flexibase

38732471

Analogs

38732473
40562425
40562505
40562507
40562509

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-isopentyl-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4- (5Z)-3-isopentyl-5-[[6-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)	5.50	15.38	-7.12	0	4	0	38	453.677	5	↓ MOL2 SDF SMILES Flexibase

38732473

Analogs

40562425
40562505
40562507
40562509
38731993

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-3-pentyl-2-thioxo-thiazolidin-4-one (5Z)-5-[[6-methyl-2-(4-methyl-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.79	15.66	-7.2	0	4	0	38	453.677	6	↓ MOL2 SDF SMILES Flexibase

38732475

Analogs

40562425
40562505
40562507
40562509
38731996

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-hexyl-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-hexyl-5-[[6-methyl-2-(4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.29	16.44	-7.18	0	4	0	38	467.704	7	↓ MOL2 SDF SMILES Flexibase

38732481

Analogs

38732371
38732424

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(2-methoxyethyl)-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazol (5Z)-3-(2-methoxyethyl)-5-[[6-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)	3.83	12.56	-8.67	0	5	0	47	441.622	5	↓ MOL2 SDF SMILES Flexibase

38732483

Analogs

38732486
38732373
38732375
38732426
38732428

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(3-methoxypropyl)-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazo (5Z)-3-(3-methoxypropyl)-5-[[6-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.10	13.16	-8.92	0	5	0	47	455.649	6	↓ MOL2 SDF SMILES Flexibase

38732486

Analogs

38732373
38732375
38732426
38732428
38732483

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(3-ethoxypropyl)-5-[[6-methyl-2-(4-methyl-1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazol (5Z)-3-(3-ethoxypropyl)-5-[[6-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)	4.47	14.13	-8.87	0	5	0	47	469.676	7	↓ MOL2 SDF SMILES Flexibase

38732521

Analogs

38732559
40562588

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	3.28	12.68	-13.3	0	6	0	64	441.578	5	↓ MOL2 SDF SMILES Flexibase

38732522

Analogs

38732524
38732525
38732562
40562590
40562596

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	4.02	13.74	-12.42	0	6	0	64	469.632	6	↓ MOL2 SDF SMILES Flexibase

38732523

Analogs

38732565
40562592

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	3.93	14.16	-12.74	0	6	0	64	467.616	7	↓ MOL2 SDF SMILES Flexibase

38732524

Analogs

38732525
38732568
38732570
40562590
40562596

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	4.52	14.74	-12.1	0	6	0	64	483.659	7	↓ MOL2 SDF SMILES Flexibase

38732525

Analogs

38732568
38732570
40562590
40562596
40562598

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	4.52	14.74	-12.14	0	6	0	64	483.659	7	↓ MOL2 SDF SMILES Flexibase

38732527

Analogs

38732572
40562600

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	4.40	14.72	-12.33	0	6	0	64	483.659	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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