ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36151267

Analogs

36151270

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-N-(m-tolylmethyl)-2-oxo-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)	5.19	12.98	-16.33	1	5	0	53	461.562	4	↓ MOL2 SDF SMILES Flexibase

36151270

Analogs

36151267

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-N-(m-tolylmethyl)-2-oxo-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)	5.19	12.99	-16.49	1	5	0	53	461.562	4	↓ MOL2 SDF SMILES Flexibase

36151426

Analogs

36151432

Draw Identity 99% 90% 80% 70%

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

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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	13.71	-15.63	1	5	0	53	457.599	4	↓ MOL2 SDF SMILES Flexibase

36151432

Analogs

36151426

Draw Identity 99% 90% 80% 70%

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

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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	13.97	-17.27	1	5	0	53	457.599	4	↓ MOL2 SDF SMILES Flexibase

36151516

Analogs

36151521

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-5-methyl-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3 (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)	5.62	13.64	-16.15	1	5	0	53	475.589	4	↓ MOL2 SDF SMILES Flexibase

36151521

Analogs

36151516

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-5-methyl-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3 (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)	5.62	13.65	-16.25	1	5	0	53	475.589	4	↓ MOL2 SDF SMILES Flexibase

36151607

Analogs

36151612
36162141
36162145
36162180
36162183

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-5-methyl-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-1-benzyl-5-methyl-N-(m-toly…

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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	13.57	-16.6	1	5	0	53	457.599	4	↓ MOL2 SDF SMILES Flexibase

36151612

Analogs

36162141
36162145
36162180
36162183
36163872

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-5-methyl-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-1-benzyl-5-methyl-N-(m-toly…

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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	13.58	-17.01	1	5	0	53	457.599	4	↓ MOL2 SDF SMILES Flexibase

36151726

Analogs

36151729

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-5',5'-dimethyl-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolid (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)	6.00	14.24	-15.83	1	5	0	53	489.616	4	↓ MOL2 SDF SMILES Flexibase

36151729

Analogs

36151726

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-5',5'-dimethyl-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolid (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)	6.00	14.26	-15.96	1	5	0	53	489.616	4	↓ MOL2 SDF SMILES Flexibase

36151976

Analogs

36151981

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5',5'-dimethyl-N-(m-tolylmethyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-c (3R)-5',5'-dimethyl-N-(m-tolylme…

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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)	6.24	14.97	-15.16	1	5	0	53	485.653	4	↓ MOL2 SDF SMILES Flexibase

36151981

Analogs

36151976

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5',5'-dimethyl-N-(m-tolylmethyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-c (3S)-5',5'-dimethyl-N-(m-tolylme…

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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)	6.24	15.24	-16.73	1	5	0	53	485.653	4	↓ MOL2 SDF SMILES Flexibase

36155760

Analogs

36155762
36162657
36162659
35744693
35744695

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-5-chloro-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-1-benzyl-5-chloro-N-(m-toly…

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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)	5.68	13.45	-15.21	1	5	0	53	478.017	4	↓ MOL2 SDF SMILES Flexibase

36155762

Analogs

36162657
36162659
35744693
35744695
36155760

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-5-chloro-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-1-benzyl-5-chloro-N-(m-toly…

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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)	5.68	13.45	-15.42	1	5	0	53	478.017	4	↓ MOL2 SDF SMILES Flexibase

36155776

Analogs

36155779
36163246
36163249
36164146
36164150

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-5-methoxy-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-1-benzyl-5-methoxy-N-(m-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)	5.06	12.22	-17.2	1	6	0	62	473.598	5	↓ MOL2 SDF SMILES Flexibase

36155779

Analogs

36163246
36163249
36164146
36164150
36164173

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-5-methoxy-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-1-benzyl-5-methoxy-N-(m-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)	5.06	12.22	-17.44	1	6	0	62	473.598	5	↓ MOL2 SDF SMILES Flexibase

36161820

Analogs

36161824
35744614
35744616
36161774
36161778

Draw Identity 99% 90% 80% 70%

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

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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)	5.03	12.92	-17.54	1	5	0	53	443.572	4	↓ MOL2 SDF SMILES Flexibase

36161824

Analogs

35744614
35744616
36161774
36161778
36161820

Draw Identity 99% 90% 80% 70%

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

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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)	5.03	12.94	-17.05	1	5	0	53	443.572	4	↓ MOL2 SDF SMILES Flexibase

36161884

Analogs

36161888

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3-methoxyphenyl)methyl]-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3R)-1-[(3-methoxyphenyl)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)	5.06	12.22	-19.94	1	6	0	62	473.598	5	↓ MOL2 SDF SMILES Flexibase

36161888

Analogs

36161884

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3S)-1-[(3-methoxyphenyl)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)	5.06	12.22	-20.17	1	6	0	62	473.598	5	↓ MOL2 SDF SMILES Flexibase

36161946

Analogs

36161950
36161899
36161902

Draw Identity 99% 90% 80% 70%

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

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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)	4.64	11.56	-20.23	1	6	0	62	459.571	5	↓ MOL2 SDF SMILES Flexibase

36161950

Analogs

36161899
36161902
36161946

Draw Identity 99% 90% 80% 70%

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

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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)	4.64	11.57	-20	1	6	0	62	459.571	5	↓ MOL2 SDF SMILES Flexibase

36162180

Analogs

36162183
36163872
36163876
36151607
36151612

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-5-methyl-1-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-N-benzyl-5-methyl-1-(m-toly…

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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	13.59	-17.21	1	5	0	53	457.599	4	↓ MOL2 SDF SMILES Flexibase

36162183

Analogs

36163872
36163876
36151607
36151612
36162141

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-5-methyl-1-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-N-benzyl-5-methyl-1-(m-toly…

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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	13.59	-16.83	1	5	0	53	457.599	4	↓ MOL2 SDF SMILES Flexibase

36162287

Analogs

36162289
35744652
35744655

Draw Identity 99% 90% 80% 70%

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

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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)	5.06	12.23	-19.74	1	6	0	62	473.598	5	↓ MOL2 SDF SMILES Flexibase

36162289

Analogs

35744652
35744655
36162287

Draw Identity 99% 90% 80% 70%

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

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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)	5.06	12.22	-20.02	1	6	0	62	473.598	5	↓ MOL2 SDF SMILES Flexibase

36162474

Analogs

36162477
36162494
36162496
35744779
35744781

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-5-fluoro-1-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-N-benzyl-5-fluoro-1-(m-toly…

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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	12.99	-16.02	1	5	0	53	461.562	4	↓ MOL2 SDF SMILES Flexibase

36162477

Analogs

36162494
36162496
35744779
35744781
36162438

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-5-fluoro-1-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-N-benzyl-5-fluoro-1-(m-toly…

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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	12.99	-15.79	1	5	0	53	461.562	4	↓ MOL2 SDF SMILES Flexibase

36162494

Analogs

36162496
35744779
35744781
36162438
36162441

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-fluoro-1-[(3-fluorophenyl)methyl]-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3 (3R)-5-fluoro-1-[(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)	5.31	13.06	-17.79	1	5	0	53	479.552	4	↓ MOL2 SDF SMILES Flexibase

36162496

Analogs

35744779
35744781
36162438
36162441
36162474

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-fluoro-1-[(3-fluorophenyl)methyl]-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3 (3S)-5-fluoro-1-[(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)	5.31	13.06	-17.89	1	5	0	53	479.552	4	↓ MOL2 SDF SMILES Flexibase

36162728

Analogs

36162731
35744701
35744703
35744706
35744707

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-5-chloro-1-[(3-methoxyphenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3R)-N-benzyl-5-chloro-1-[(3-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.29	12.07	-18.36	1	6	0	62	494.016	5	↓ MOL2 SDF SMILES Flexibase

36162731

Analogs

35744701
35744703
35744706
35744707
36162728

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-5-chloro-1-[(3-methoxyphenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3S)-N-benzyl-5-chloro-1-[(3-met…

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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)	5.29	12.08	-18.32	1	6	0	62	494.016	5	↓ MOL2 SDF SMILES Flexibase

36162831

Analogs

36162834

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-5-methoxy-N-(m-tolylmethyl)-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)	5.23	12.29	-17.01	1	6	0	62	491.588	5	↓ MOL2 SDF SMILES Flexibase

36162834

Analogs

36162831

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-5-methoxy-N-(m-tolylmethyl)-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)	5.23	12.29	-17.04	1	6	0	62	491.588	5	↓ MOL2 SDF SMILES Flexibase

36162862

Analogs

36162866
36162845
36162848
36162851
36162853

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-1-[(4-fluorophenyl)methyl]-5-methoxy-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3R)-N-benzyl-1-[(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)	4.80	11.62	-17.09	1	6	0	62	477.561	5	↓ MOL2 SDF SMILES Flexibase

36162866

Analogs

36162845
36162848
36162851
36162853
36162862

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-1-[(4-fluorophenyl)methyl]-5-methoxy-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3S)-N-benzyl-1-[(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)	4.80	11.62	-17.16	1	6	0	62	477.561	5	↓ MOL2 SDF SMILES Flexibase

36162972

Analogs

36162975

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-methoxy-N-(m-tolylmethyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3R)-5-methoxy-N-(m-tolylmethyl)…

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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)	5.46	13	-15.74	1	6	0	62	487.625	5	↓ MOL2 SDF SMILES Flexibase

36162975

Analogs

36162972

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-methoxy-N-(m-tolylmethyl)-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbox (3S)-5-methoxy-N-(m-tolylmethyl)…

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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)	5.46	13.25	-17.19	1	6	0	62	487.625	5	↓ MOL2 SDF SMILES Flexibase

36163034

Analogs

36163038
36162990
36162993
36162995
36162999

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-5-methoxy-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-N-benzyl-5-methoxy-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)	5.04	12.57	-17.22	1	6	0	62	473.598	5	↓ MOL2 SDF SMILES Flexibase

36163038

Analogs

36162990
36162993
36162995
36162999
36163034

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-5-methoxy-1-(o-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-N-benzyl-5-methoxy-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)	5.04	12.61	-17.3	1	6	0	62	473.598	5	↓ MOL2 SDF SMILES Flexibase

36163042

Analogs

36163047
36164056
36164060

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3-fluorophenyl)methyl]-5-methoxy-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]- (3R)-1-[(3-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)	5.20	12.29	-19.23	1	6	0	62	491.588	5	↓ MOL2 SDF SMILES Flexibase

36163047

Analogs

36164056
36164060
36163042

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3-fluorophenyl)methyl]-5-methoxy-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]- (3S)-1-[(3-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)	5.20	12.29	-19.47	1	6	0	62	491.588	5	↓ MOL2 SDF SMILES Flexibase

36163135

Analogs

36163137

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chlorophenyl)methyl]-5-methoxy-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]- (3R)-1-[(2-chlorophenyl)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)	5.69	12.61	-17.05	1	6	0	62	508.043	5	↓ MOL2 SDF SMILES Flexibase

36163137

Analogs

36163135

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chlorophenyl)methyl]-5-methoxy-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]- (3S)-1-[(2-chlorophenyl)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)	5.69	12.61	-17.99	1	6	0	62	508.043	5	↓ MOL2 SDF SMILES Flexibase

36163246

Analogs

36163249
36164146
36164150
36164173
36164176

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine] (3R)-5-methoxy-1-[(3-methoxyphen…

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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)	5.10	11.52	-20.29	1	7	0	71	503.624	6	↓ MOL2 SDF SMILES Flexibase

36163249

Analogs

36164146
36164150
36164173
36164176
36164178

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine] (3S)-5-methoxy-1-[(3-methoxyphen…

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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)	5.10	11.52	-20.51	1	7	0	71	503.624	6	↓ MOL2 SDF SMILES Flexibase

36163283

Analogs

36163287
35744074
35744075
35744729
35744730

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-5-methoxy-1-[(3-methoxyphenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbo (3R)-N-benzyl-5-methoxy-1-[(3-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)	4.67	10.84	-20.53	1	7	0	71	489.597	6	↓ MOL2 SDF SMILES Flexibase

36163287

Analogs

35744074
35744075
35744729
35744730
36163259

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-5-methoxy-1-[(3-methoxyphenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carbo (3S)-N-benzyl-5-methoxy-1-[(3-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)	4.67	10.85	-20.37	1	7	0	71	489.597	6	↓ MOL2 SDF SMILES Flexibase

36163460

Analogs

36163464
36163508
36163511

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2,6-difluorophenyl)methyl]-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-car (3R)-1-[(2,6-difluorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.26	12.8	-18.04	1	5	0	53	479.552	4	↓ MOL2 SDF SMILES Flexibase

36163464

Analogs

36163508
36163511
36163460

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2,6-difluorophenyl)methyl]-N-(m-tolylmethyl)-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-car (3S)-1-[(2,6-difluorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.26	12.81	-19.3	1	5	0	53	479.552	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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    window.zinc.embed('zinc-link', {
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