ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36152150

Analogs

36152154
36153139
36153142
36153180
36153184

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(4-fluorobenzoyl)-5,5',5'-trimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(4-fluorobenzoy…

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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)	4.96	14.29	-16.87	0	4	0	41	460.574	3	↓ MOL2 SDF SMILES Flexibase

36152154

Analogs

36153139
36153142
36153180
36153184
36152150

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(4-fluorobenzoyl)-5,5',5'-trimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(4-fluorobenzoy…

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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)	4.96	14.28	-16.75	0	4	0	41	460.574	3	↓ MOL2 SDF SMILES Flexibase

36152196

Analogs

36152199

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(4-methoxybenzoyl)-5,5',5'-trimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(4-methoxybenzo…

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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)	4.86	13.52	-18.81	0	5	0	50	472.61	4	↓ MOL2 SDF SMILES Flexibase

36152199

Analogs

36152196

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(4-methoxybenzoyl)-5,5',5'-trimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(4-methoxybenzo…

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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)	4.86	13.51	-17.73	0	5	0	50	472.61	4	↓ MOL2 SDF SMILES Flexibase

36152210

Analogs

36152214

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-5,5',5'-trimethyl-3'-(4-methylbenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-5,5',5'-trimethyl-…

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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)	5.25	14.87	-17.63	0	4	0	41	456.611	3	↓ MOL2 SDF SMILES Flexibase

36152214

Analogs

36152210

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-5,5',5'-trimethyl-3'-(4-methylbenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-5,5',5'-trimethyl-…

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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)	5.25	14.88	-18.52	0	4	0	41	456.611	3	↓ MOL2 SDF SMILES Flexibase

36152228

Analogs

36152232
36153204
36153208

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(3-fluorobenzoyl)-5,5',5'-trimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(3-fluorobenzoy…

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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)	4.94	14.29	-20.15	0	4	0	41	460.574	3	↓ MOL2 SDF SMILES Flexibase

36152232

Analogs

36153204
36153208
36152228

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(3-fluorobenzoyl)-5,5',5'-trimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(3-fluorobenzoy…

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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)	4.94	14.29	-20.05	0	4	0	41	460.574	3	↓ MOL2 SDF SMILES Flexibase

36152235

Analogs

36152238

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(4-chlorobenzoyl)-5,5',5'-trimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(4-chlorobenzoy…

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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)	5.48	14.74	-16.54	0	4	0	41	477.029	3	↓ MOL2 SDF SMILES Flexibase

36152238

Analogs

36152235

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(4-chlorobenzoyl)-5,5',5'-trimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(4-chlorobenzoy…

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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)	5.48	14.73	-16.44	0	4	0	41	477.029	3	↓ MOL2 SDF SMILES Flexibase

36152243

Analogs

36152250

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(3-methoxybenzoyl)-5,5',5'-trimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(3-methoxybenzo…

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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	13.52	-16.94	0	5	0	50	472.61	4	↓ MOL2 SDF SMILES Flexibase

36152250

Analogs

36152243

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(3-methoxybenzoyl)-5,5',5'-trimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(3-methoxybenzo…

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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	13.51	-21.06	0	5	0	50	472.61	4	↓ MOL2 SDF SMILES Flexibase

36152254

Analogs

36152257

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(3-chlorobenzoyl)-5,5',5'-trimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(3-chlorobenzoy…

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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)	5.45	14.73	-19.13	0	4	0	41	477.029	3	↓ MOL2 SDF SMILES Flexibase

36152257

Analogs

36152254

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(3-chlorobenzoyl)-5,5',5'-trimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(3-chlorobenzoy…

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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)	5.45	14.72	-19.06	0	4	0	41	477.029	3	↓ MOL2 SDF SMILES Flexibase

36152363

Analogs

36152366
36152403
36152407
36152457
36152461

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(4-fluorobenzoyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(4-fluorobenzoyl)-1-[(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)	3.89	12.42	-17.35	0	4	0	41	436.483	3	↓ MOL2 SDF SMILES Flexibase

36152366

Analogs

36152403
36152407
36152457
36152461
36164330

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(4-fluorobenzoyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(4-fluorobenzoyl)-1-[(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)	3.89	12.42	-16.88	0	4	0	41	436.483	3	↓ MOL2 SDF SMILES Flexibase

36152390

Analogs

36152392

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-3'-(4-methoxybenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-[(4-fluorophenyl)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)	3.79	11.67	-18.58	0	5	0	50	448.519	4	↓ MOL2 SDF SMILES Flexibase

36152392

Analogs

36152390

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-3'-(4-methoxybenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-[(4-fluorophenyl)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)	3.79	11.65	-18.19	0	5	0	50	448.519	4	↓ MOL2 SDF SMILES Flexibase

36152403

Analogs

36152407
36152457
36152461
36164330
36164332

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-3'-(4-methylbenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-[(4-fluorophenyl)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)	4.18	13.02	-17.71	0	4	0	41	432.52	3	↓ MOL2 SDF SMILES Flexibase

36152407

Analogs

36152457
36152461
36164330
36164332
36152363

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-3'-(4-methylbenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-[(4-fluorophenyl)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)	4.18	13.03	-18.15	0	4	0	41	432.52	3	↓ MOL2 SDF SMILES Flexibase

36152417

Analogs

36152421
36152515
36152518
36164384
36164386

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(2-fluorobenzoyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(2-fluorobenzoyl)-1-[(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)	3.85	12.44	-22.49	0	4	0	41	436.483	3	↓ MOL2 SDF SMILES Flexibase

36152421

Analogs

36152515
36152518
36164384
36164386
36152417

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(2-fluorobenzoyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(2-fluorobenzoyl)-1-[(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)	3.85	12.42	-22.64	0	4	0	41	436.483	3	↓ MOL2 SDF SMILES Flexibase

36152424

Analogs

36152428
36152521
36152526
36166859
36166862

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(3-fluorobenzoyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(3-fluorobenzoyl)-1-[(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)	3.87	12.42	-20.65	0	4	0	41	436.483	3	↓ MOL2 SDF SMILES Flexibase

36152428

Analogs

36152521
36152526
36166859
36166862
36166882

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(3-fluorobenzoyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(3-fluorobenzoyl)-1-[(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)	3.87	12.42	-19.8	0	4	0	41	436.483	3	↓ MOL2 SDF SMILES Flexibase

36152438

Analogs

36152442

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(4-chlorobenzoyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(4-chlorobenzoyl)-1-[(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)	4.41	12.87	-17.05	0	4	0	41	452.938	3	↓ MOL2 SDF SMILES Flexibase

36152442

Analogs

36152438

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(4-chlorobenzoyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(4-chlorobenzoyl)-1-[(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)	4.41	12.87	-16.55	0	4	0	41	452.938	3	↓ MOL2 SDF SMILES Flexibase

36152445

Analogs

36152447

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-3'-(3-methoxybenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-[(4-fluorophenyl)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)	3.76	11.64	-21.1	0	5	0	50	448.519	4	↓ MOL2 SDF SMILES Flexibase

36152447

Analogs

36152445

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-3'-(3-methoxybenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-[(4-fluorophenyl)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)	3.76	11.65	-17.19	0	5	0	50	448.519	4	↓ MOL2 SDF SMILES Flexibase

36152450

Analogs

36152453

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(3-chlorobenzoyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(3-chlorobenzoyl)-1-[(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)	4.38	12.86	-19.68	0	4	0	41	452.938	3	↓ MOL2 SDF SMILES Flexibase

36152453

Analogs

36152450

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(3-chlorobenzoyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(3-chlorobenzoyl)-1-[(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)	4.38	12.86	-18.88	0	4	0	41	452.938	3	↓ MOL2 SDF SMILES Flexibase

36152457

Analogs

36152461
36164330
36164332
36152363
36152366

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(4-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(4-fluorobenzoy…

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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)	3.73	12.34	-18.19	0	4	0	41	418.493	3	↓ MOL2 SDF SMILES Flexibase

36152461

Analogs

36164330
36164332
36152363
36152366
36152403

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(4-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(4-fluorobenzoy…

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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)	3.73	12.36	-17.25	0	4	0	41	418.493	3	↓ MOL2 SDF SMILES Flexibase

36152485

Analogs

36152488
35744822
35744823

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(4-methoxybenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(4-methoxybenzo…

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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	11.6	-18.98	0	5	0	50	430.529	4	↓ MOL2 SDF SMILES Flexibase

36152488

Analogs

35744822
35744823
36152485

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(4-methoxybenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(4-methoxybenzo…

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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	11.59	-19.03	0	5	0	50	430.529	4	↓ MOL2 SDF SMILES Flexibase

36152500

Analogs

36152504
36164371
36164375
36164378
36164381

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(4-methylbenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(4-methylbenzoy…

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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	12.95	-18.23	0	4	0	41	414.53	3	↓ MOL2 SDF SMILES Flexibase

36152504

Analogs

36164371
36164375
36164378
36164381
36152500

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(4-methylbenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(4-methylbenzoy…

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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)	4.01	12.96	-19.05	0	4	0	41	414.53	3	↓ MOL2 SDF SMILES Flexibase

36152515

Analogs

36152518
36164293
36164296
36164384
36164386

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(2-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(2-fluorobenzoy…

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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)	3.68	12.35	-23.78	0	4	0	41	418.493	3	↓ MOL2 SDF SMILES Flexibase

36152518

Analogs

36164293
36164296
36164384
36164386
36152417

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(2-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(2-fluorobenzoy…

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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)	3.68	12.37	-22.96	0	4	0	41	418.493	3	↓ MOL2 SDF SMILES Flexibase

36152521

Analogs

36152526
36164553
36164556
36166882
36166885

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(3-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(3-fluorobenzoy…

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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)	3.71	12.34	-21.33	0	4	0	41	418.493	3	↓ MOL2 SDF SMILES Flexibase

36152526

Analogs

36164553
36164556
36166882
36166885
36152424

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(3-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(3-fluorobenzoy…

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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)	3.71	12.35	-20.48	0	4	0	41	418.493	3	↓ MOL2 SDF SMILES Flexibase

36152533

Analogs

36152536
36164395
36164398

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(4-chlorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(4-chlorobenzoy…

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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)	4.24	12.79	-17.88	0	4	0	41	434.948	3	↓ MOL2 SDF SMILES Flexibase

36152536

Analogs

36164395
36164398
36152533

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(4-chlorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(4-chlorobenzoy…

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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)	4.24	12.81	-16.92	0	4	0	41	434.948	3	↓ MOL2 SDF SMILES Flexibase

36152540

Analogs

36152544
36164413
36164417
36164628
36164631

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(3-methoxybenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(3-methoxybenzo…

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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	11.58	-21.41	0	5	0	50	430.529	4	↓ MOL2 SDF SMILES Flexibase

36152544

Analogs

36164413
36164417
36164628
36164631
36164670

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(3-methoxybenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(3-methoxybenzo…

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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	11.58	-17.93	0	5	0	50	430.529	4	↓ MOL2 SDF SMILES Flexibase

36152547

Analogs

36152550
36164420
36164424

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(3-chlorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(3-chlorobenzoy…

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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	12.78	-20.43	0	4	0	41	434.948	3	↓ MOL2 SDF SMILES Flexibase

36152550

Analogs

36164420
36164424
36152547

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(3-chlorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(3-chlorobenzoy…

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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	12.8	-19.56	0	4	0	41	434.948	3	↓ MOL2 SDF SMILES Flexibase

36152554

Analogs

36152557

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(4-fluorobenzoyl)-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(4-fluorobenzoyl)-1-(o-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)	4.13	13.32	-18.06	0	4	0	41	432.52	3	↓ MOL2 SDF SMILES Flexibase

36152557

Analogs

36152554

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(4-fluorobenzoyl)-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(4-fluorobenzoyl)-1-(o-t…

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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)	4.13	13.38	-17.84	0	4	0	41	432.52	3	↓ MOL2 SDF SMILES Flexibase

36152583

Analogs

36152586

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(4-methoxybenzoyl)-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(4-methoxybenzoyl)-1-(o-…

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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)	4.02	12.57	-19.72	0	5	0	50	444.556	4	↓ MOL2 SDF SMILES Flexibase

36152586

Analogs

36152583

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(4-methoxybenzoyl)-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(4-methoxybenzoyl)-1-(o-…

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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	12.54	-18.9	0	5	0	50	444.556	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 73512
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 = 73512 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=73512&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": "73512"        

    });
</script>

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