ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36151160

Analogs

36151163
36151167
36151170

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-5,5',5'-trimethyl-2-oxo-N-phenyl-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (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)	5.59	14.07	-17.24	1	5	0	53	457.599	3	↓ MOL2 SDF SMILES Flexibase

36151163

Analogs

36151167
36151170
36151160

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-5,5',5'-trimethyl-2-oxo-N-phenyl-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (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)	5.59	14.06	-18.12	1	5	0	53	457.599	3	↓ MOL2 SDF SMILES Flexibase

36151167

Analogs

36151170
36151160
36151163

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-5,5',5'-trimethyl-2-oxo-N-(p-tolyl)spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (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)	6.04	14.7	-17.19	1	5	0	53	471.626	3	↓ MOL2 SDF SMILES Flexibase

36151170

Analogs

36151160
36151163
36151167

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-5,5',5'-trimethyl-2-oxo-N-(p-tolyl)spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (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)	6.04	14.71	-18.23	1	5	0	53	471.626	3	↓ MOL2 SDF SMILES Flexibase

36151173

Analogs

36151175
36152097
36152101

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-N-(2-fluorophenyl)-5,5',5'-trimethyl-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3R)-1-benzyl-N-(2-fluorophenyl)…

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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)	5.70	14.17	-16.2	1	5	0	53	475.589	3	↓ MOL2 SDF SMILES Flexibase

36151175

Analogs

36152097
36152101
36151173

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-N-(2-fluorophenyl)-5,5',5'-trimethyl-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3S)-1-benzyl-N-(2-fluorophenyl)…

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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)	5.70	14.16	-15.91	1	5	0	53	475.589	3	↓ MOL2 SDF SMILES Flexibase

36151178

Analogs

36151182
36152105
36152110

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-N-(3-fluorophenyl)-5,5',5'-trimethyl-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3R)-1-benzyl-N-(3-fluorophenyl)…

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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)	5.73	14.14	-19.11	1	5	0	53	475.589	3	↓ MOL2 SDF SMILES Flexibase

36151182

Analogs

36152105
36152110
36151178

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-N-(3-fluorophenyl)-5,5',5'-trimethyl-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3S)-1-benzyl-N-(3-fluorophenyl)…

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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)	5.73	14.13	-21.01	1	5	0	53	475.589	3	↓ MOL2 SDF SMILES Flexibase

36151185

Analogs

36151188
36152076
36152080
36152083
36152086

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-N-(4-fluorophenyl)-5,5',5'-trimethyl-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3R)-1-benzyl-N-(4-fluorophenyl)…

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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)	5.75	14.14	-17.05	1	5	0	53	475.589	3	↓ MOL2 SDF SMILES Flexibase

36151188

Analogs

36152076
36152080
36152083
36152086
36151185

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-N-(4-fluorophenyl)-5,5',5'-trimethyl-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3S)-1-benzyl-N-(4-fluorophenyl)…

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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)	5.75	14.13	-17.97	1	5	0	53	475.589	3	↓ MOL2 SDF SMILES Flexibase

36151275

Analogs

36151279

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbo (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)	4.55	11.45	-17.88	1	6	0	62	463.534	4	↓ MOL2 SDF SMILES Flexibase

36151279

Analogs

36151275

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbo (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)	4.55	11.46	-17.96	1	6	0	62	463.534	4	↓ MOL2 SDF SMILES Flexibase

36151282

Analogs

36151286

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbo (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)	4.57	11.45	-18.31	1	6	0	62	463.534	4	↓ MOL2 SDF SMILES Flexibase

36151286

Analogs

36151282

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbo (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)	4.57	11.46	-18.6	1	6	0	62	463.534	4	↓ MOL2 SDF SMILES Flexibase

36151290

Analogs

36151294

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-2-oxo-N-phenyl-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (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)	4.52	12.16	-17.51	1	5	0	53	433.508	3	↓ MOL2 SDF SMILES Flexibase

36151294

Analogs

36151290

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-2-oxo-N-phenyl-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (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)	4.52	12.16	-18.11	1	5	0	53	433.508	3	↓ MOL2 SDF SMILES Flexibase

36151298

Analogs

36151301
36163613
36163617

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3R)-N-(3-chlorophenyl)-1-[(4-fl…

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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)	5.17	12.71	-18.57	1	5	0	53	467.953	3	↓ MOL2 SDF SMILES Flexibase

36151301

Analogs

36163613
36163617
36151298

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3S)-N-(3-chlorophenyl)-1-[(4-fl…

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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)	5.17	12.71	-19.35	1	5	0	53	467.953	3	↓ MOL2 SDF SMILES Flexibase

36151305

Analogs

36151309

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-N-(m-tolyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (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)	4.94	12.84	-17.64	1	5	0	53	447.535	3	↓ MOL2 SDF SMILES Flexibase

36151309

Analogs

36151305

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-N-(m-tolyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (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)	4.94	12.84	-18.23	1	5	0	53	447.535	3	↓ MOL2 SDF SMILES Flexibase

36151313

Analogs

36151317

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3R)-N-(2-fluorophenyl)-1-[(4-fl…

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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)	4.63	12.3	-16.28	1	5	0	53	451.498	3	↓ MOL2 SDF SMILES Flexibase

36151317

Analogs

36151313

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3S)-N-(2-fluorophenyl)-1-[(4-fl…

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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)	4.63	12.29	-16.09	1	5	0	53	451.498	3	↓ MOL2 SDF SMILES Flexibase

36151323

Analogs

36151326
36151336
36151338

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(3-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3R)-N-(3-fluorophenyl)-1-[(4-fl…

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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	12.26	-19.9	1	5	0	53	451.498	3	↓ MOL2 SDF SMILES Flexibase

36151326

Analogs

36151336
36151338
36151323

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(3-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3S)-N-(3-fluorophenyl)-1-[(4-fl…

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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	12.26	-20.64	1	5	0	53	451.498	3	↓ MOL2 SDF SMILES Flexibase

36151330

Analogs

36151333
36161729
36161734

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-N-(m-tolyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-1-benzyl-N-(m-tolyl)-2-oxo-…

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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)	4.78	12.77	-18.1	1	5	0	53	429.545	3	↓ MOL2 SDF SMILES Flexibase

36151333

Analogs

36161729
36161734
36151330

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-N-(m-tolyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-1-benzyl-N-(m-tolyl)-2-oxo-…

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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)	4.78	12.77	-19.12	1	5	0	53	429.545	3	↓ MOL2 SDF SMILES Flexibase

36151336

Analogs

36151338
36151323
36151326

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-N-(3-fluorophenyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-1-benzyl-N-(3-fluorophenyl)…

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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	12.16	-21.95	1	5	0	53	433.508	3	↓ MOL2 SDF SMILES Flexibase

36151338

Analogs

36151323
36151326
36151336

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-N-(3-fluorophenyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-1-benzyl-N-(3-fluorophenyl)…

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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	12.16	-19.77	1	5	0	53	433.508	3	↓ MOL2 SDF SMILES Flexibase

36151343

Analogs

36151346

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-N-(4-fluorophenyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-1-benzyl-N-(4-fluorophenyl)…

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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	12.19	-18.51	1	5	0	53	433.508	3	↓ MOL2 SDF SMILES Flexibase

36151346

Analogs

36151343

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-N-(4-fluorophenyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-1-benzyl-N-(4-fluorophenyl)…

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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	12.16	-17.83	1	5	0	53	433.508	3	↓ MOL2 SDF SMILES Flexibase

36151461

Analogs

36151465
36151469
36151473

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(o-tolylmethyl)-2-oxo-N-phenyl-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-1-(o-tolylmethyl)-2-oxo-N-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)	4.75	13.1	-18.28	1	5	0	53	429.545	3	↓ MOL2 SDF SMILES Flexibase

36151465

Analogs

36151469
36151473
36151461

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(o-tolylmethyl)-2-oxo-N-phenyl-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-1-(o-tolylmethyl)-2-oxo-N-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)	4.75	13.1	-19.14	1	5	0	53	429.545	3	↓ MOL2 SDF SMILES Flexibase

36151469

Analogs

36151473
36151461
36151465

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(o-tolylmethyl)-2-oxo-N-(p-tolyl)spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-1-(o-tolylmethyl)-2-oxo-N-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.20	13.58	-16.56	1	5	0	53	443.572	3	↓ MOL2 SDF SMILES Flexibase

36151473

Analogs

36151461
36151465
36151469

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(o-tolylmethyl)-2-oxo-N-(p-tolyl)spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-1-(o-tolylmethyl)-2-oxo-N-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.20	13.78	-18.91	1	5	0	53	443.572	3	↓ MOL2 SDF SMILES Flexibase

36151477

Analogs

36151481

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(m-tolyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-N-(m-tolyl)-1-(o-tolylmethy…

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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)	5.18	13.61	-16.6	1	5	0	53	443.572	3	↓ MOL2 SDF SMILES Flexibase

36151481

Analogs

36151477

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(m-tolyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-N-(m-tolyl)-1-(o-tolylmethy…

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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)	5.18	13.78	-19.13	1	5	0	53	443.572	3	↓ MOL2 SDF SMILES Flexibase

36151485

Analogs

36151489

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-fluorophenyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-N-(2-fluorophenyl)-1-(o-tol…

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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)	4.87	13.19	-16.32	1	5	0	53	447.535	3	↓ MOL2 SDF SMILES Flexibase

36151489

Analogs

36151485

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-fluorophenyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-N-(2-fluorophenyl)-1-(o-tol…

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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)	4.87	13.19	-16.99	1	5	0	53	447.535	3	↓ MOL2 SDF SMILES Flexibase

36151492

Analogs

36151496

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(3-fluorophenyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-N-(3-fluorophenyl)-1-(o-tol…

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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)	4.89	13.19	-21.9	1	5	0	53	447.535	3	↓ MOL2 SDF SMILES Flexibase

36151496

Analogs

36151492

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(3-fluorophenyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-N-(3-fluorophenyl)-1-(o-tol…

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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)	4.89	13.17	-21.99	1	5	0	53	447.535	3	↓ MOL2 SDF SMILES Flexibase

36151500

Analogs

36151504

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-fluorophenyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-N-(4-fluorophenyl)-1-(o-tol…

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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)	4.92	13.17	-18.29	1	5	0	53	447.535	3	↓ MOL2 SDF SMILES Flexibase

36151504

Analogs

36151500

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(4-fluorophenyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-N-(4-fluorophenyl)-1-(o-tol…

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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)	4.92	13.17	-19.03	1	5	0	53	447.535	3	↓ MOL2 SDF SMILES Flexibase

36151508

Analogs

36151512

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-chlorophenyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-N-(4-chlorophenyl)-1-(o-tol…

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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)	5.43	13.62	-17.71	1	5	0	53	463.99	3	↓ MOL2 SDF SMILES Flexibase

36151512

Analogs

36151508

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(4-chlorophenyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-N-(4-chlorophenyl)-1-(o-tol…

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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)	5.43	13.62	-18.46	1	5	0	53	463.99	3	↓ MOL2 SDF SMILES Flexibase

36151526

Analogs

36151531

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-methyl-2-oxo-spiro[indoline-3,2'-thiazolidine] (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)	4.97	12.16	-20.09	1	6	0	62	477.561	4	↓ MOL2 SDF SMILES Flexibase

36151531

Analogs

36151526

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-methyl-2-oxo-spiro[indoline-3,2'-thiazolidine] (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)	4.97	12.16	-21.22	1	6	0	62	477.561	4	↓ MOL2 SDF SMILES Flexibase

36151537

Analogs

36151541

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-2-oxo-spiro[indoline-3,2'-thiazolidine] (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)	5.00	12.15	-18.12	1	6	0	62	477.561	4	↓ MOL2 SDF SMILES Flexibase

36151541

Analogs

36151537

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-2-oxo-spiro[indoline-3,2'-thiazolidine] (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)	5.00	12.14	-18.29	1	6	0	62	477.561	4	↓ MOL2 SDF SMILES Flexibase

36151545

Analogs

36151549
36151560
36151564
36151589
36151593

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-N-phenyl-spiro[indoline-3,2'-thiazolidine]-3'-carboxa (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)	4.94	12.86	-17.37	1	5	0	53	447.535	3	↓ MOL2 SDF SMILES Flexibase

36151549

Analogs

36151560
36151564
36151589
36151593
36151545

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-N-phenyl-spiro[indoline-3,2'-thiazolidine]-3'-carboxa (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)	4.94	12.86	-17.79	1	5	0	53	447.535	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 73025
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 = 73025 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=73025&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": "73025"        

    });
</script>

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