ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36152218

Analogs

36152224

Draw Identity 99% 90% 80% 70%

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

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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)	4.43	13.07	-16.57	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36152224

Analogs

36152218

Draw Identity 99% 90% 80% 70%

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

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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)	4.43	13.04	-17.19	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36152409

Analogs

36152413

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	11.2	-16.68	0	4	0	41	382.46	3	↓ MOL2 SDF SMILES Flexibase

36152413

Analogs

36152409

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	11.18	-17.02	0	4	0	41	382.46	3	↓ MOL2 SDF SMILES Flexibase

36152508

Analogs

36152512

Draw Identity 99% 90% 80% 70%

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

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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)	3.20	11.11	-17.74	0	4	0	41	364.47	3	↓ MOL2 SDF SMILES Flexibase

36152512

Analogs

36152508

Draw Identity 99% 90% 80% 70%

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

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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)	3.20	11.12	-17.35	0	4	0	41	364.47	3	↓ MOL2 SDF SMILES Flexibase

36152603

Analogs

36152606

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	12.13	-17.68	0	4	0	41	378.497	3	↓ MOL2 SDF SMILES Flexibase

36152606

Analogs

36152603

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	12.16	-17.92	0	4	0	41	378.497	3	↓ MOL2 SDF SMILES Flexibase

36152688

Analogs

36152693

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-1-[(4-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine] (3R)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	11.86	-16.42	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36152693

Analogs

36152688

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-1-[(4-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine] (3S)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	11.84	-16.69	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36152867

Analogs

36152869

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-1-[(4-fluorophenyl)methyl]-5',5'-dimethyl-spiro[indoline-3,2'-thiazol (3R)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.17	12.45	-16.15	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36152869

Analogs

36152867

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-1-[(4-fluorophenyl)methyl]-5',5'-dimethyl-spiro[indoline-3,2'-thiazol (3S)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.17	12.43	-16.52	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36152970

Analogs

36152973

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(cyclopropanecarbonyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(cyclopropaneca…

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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	12.38	-16.81	0	4	0	41	392.524	3	↓ MOL2 SDF SMILES Flexibase

36152973

Analogs

36152970

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(cyclopropanecarbonyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(cyclopropaneca…

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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	12.37	-17.42	0	4	0	41	392.524	3	↓ MOL2 SDF SMILES Flexibase

36153085

Analogs

36153088

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-5',5'-dimethyl-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-o (3R)-3'-(cyclopropanecarbonyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.41	13.41	-17.27	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36153088

Analogs

36153085

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-5',5'-dimethyl-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-o (3S)-3'-(cyclopropanecarbonyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.41	13.43	-17.6	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36153189

Analogs

36153193

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-1-[(4-fluorophenyl)methyl]-5,5',5'-trimethyl-spiro[indoline-3,2'-thia (3R)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.59	13.14	-15.94	0	4	0	41	424.541	3	↓ MOL2 SDF SMILES Flexibase

36153193

Analogs

36153189

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-1-[(4-fluorophenyl)methyl]-5,5',5'-trimethyl-spiro[indoline-3,2'-thia (3S)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.59	13.11	-16.34	0	4	0	41	424.541	3	↓ MOL2 SDF SMILES Flexibase

36155380

Analogs

36155383

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chlorophenyl)methyl]-3'-(cyclopropanecarbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (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)	3.83	11.45	-17.06	0	4	0	41	398.915	3	↓ MOL2 SDF SMILES Flexibase

36155383

Analogs

36155380

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chlorophenyl)methyl]-3'-(cyclopropanecarbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (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)	3.83	11.46	-18.24	0	4	0	41	398.915	3	↓ MOL2 SDF SMILES Flexibase

36155619

Analogs

36155622
35744016
35744017

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-5-chloro-3'-(cyclopropanecarbonyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2- (3R)-1-benzyl-5-chloro-3'-(cyclo…

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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	12.91	-14.96	0	4	0	41	426.969	3	↓ MOL2 SDF SMILES Flexibase

36155622

Analogs

35744016
35744017
36155619

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-5-chloro-3'-(cyclopropanecarbonyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2- (3S)-1-benzyl-5-chloro-3'-(cyclo…

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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	12.89	-15.42	0	4	0	41	426.969	3	↓ MOL2 SDF SMILES Flexibase

36155688

Analogs

36155691
35744026
35744027

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-chloro-3'-(cyclopropanecarbonyl)-5',5'-dimethyl-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazoli (3R)-5-chloro-3'-(cyclopropaneca…

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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	13.93	-15.12	0	4	0	41	440.996	3	↓ MOL2 SDF SMILES Flexibase

36155691

Analogs

35744026
35744027
36155688

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-chloro-3'-(cyclopropanecarbonyl)-5',5'-dimethyl-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazoli (3S)-5-chloro-3'-(cyclopropaneca…

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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	13.95	-15.35	0	4	0	41	440.996	3	↓ MOL2 SDF SMILES Flexibase

36164287

Analogs

36164290
36166738
36166740

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-1-[(2-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	10.91	-17.2	0	4	0	41	382.46	3	↓ MOL2 SDF SMILES Flexibase

36164290

Analogs

36166738
36166740
36164287

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-1-[(2-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	10.91	-16.57	0	4	0	41	382.46	3	↓ MOL2 SDF SMILES Flexibase

36164459

Analogs

36164462
36166966
36166969

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	11.78	-17.88	0	4	0	41	378.497	3	↓ MOL2 SDF SMILES Flexibase

36164462

Analogs

36166966
36166969
36164459

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	11.78	-17.57	0	4	0	41	378.497	3	↓ MOL2 SDF SMILES Flexibase

36164634

Analogs

36164637

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-1-[(3-methoxyphenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	10.41	-20.73	0	5	0	50	394.496	4	↓ MOL2 SDF SMILES Flexibase

36164637

Analogs

36164634

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-1-[(3-methoxyphenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	10.41	-20.51	0	5	0	50	394.496	4	↓ MOL2 SDF SMILES Flexibase

36164713

Analogs

36164716
36167038
36167040
36167107
36167109

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-1-[(2-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine] (3R)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	11.84	-20.17	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36164716

Analogs

36167038
36167040
36167107
36167109
36164713

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-1-[(2-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine] (3S)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	11.82	-21.07	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36164885

Analogs

36164888
36167250
36167252

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-5-methyl-1-(m-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopropanecarbonyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	12.45	-17.66	0	4	0	41	392.524	3	↓ MOL2 SDF SMILES Flexibase

36164888

Analogs

36167250
36167252
36164885

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-5-methyl-1-(m-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopropanecarbonyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	12.44	-17.31	0	4	0	41	392.524	3	↓ MOL2 SDF SMILES Flexibase

36164978

Analogs

36164981
36167161
36167163

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-1-[(3-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine] (3R)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.76	11.86	-18.67	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36164981

Analogs

36167161
36167163
36164978

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-1-[(3-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine] (3S)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.76	11.84	-19.15	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36165068

Analogs

36165070

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chlorophenyl)methyl]-3'-(cyclopropanecarbonyl)-5-methyl-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)	4.25	12.19	-16.53	0	4	0	41	412.942	3	↓ MOL2 SDF SMILES Flexibase

36165070

Analogs

36165068

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chlorophenyl)methyl]-3'-(cyclopropanecarbonyl)-5-methyl-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)	4.25	12.16	-17.75	0	4	0	41	412.942	3	↓ MOL2 SDF SMILES Flexibase

36165118

Analogs

36165120

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-1-[(3-methoxyphenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine (3R)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	11.09	-20.1	0	5	0	50	408.523	4	↓ MOL2 SDF SMILES Flexibase

36165120

Analogs

36165118

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-1-[(3-methoxyphenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine (3S)-3'-(cyclopropanecarbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	11.07	-20.55	0	5	0	50	408.523	4	↓ MOL2 SDF SMILES Flexibase

36165172

Analogs

36165174
36165208
36165210

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-5-fluoro-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]- (3R)-3'-(cyclopropanecarbonyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	11.25	-16.02	0	4	0	41	400.45	3	↓ MOL2 SDF SMILES Flexibase

36165174

Analogs

36165208
36165210
36165172

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-5-fluoro-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]- (3S)-3'-(cyclopropanecarbonyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	11.24	-16.03	0	4	0	41	400.45	3	↓ MOL2 SDF SMILES Flexibase

36165208

Analogs

36165210
36165248
36165250
36152765
36152768

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(cyclopropanecarbonyl)-5-fluoro-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(cyclopropaneca…

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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)	3.34	11.18	-16.23	0	4	0	41	382.46	3	↓ MOL2 SDF SMILES Flexibase

36165210

Analogs

36165248
36165250
36152765
36152768
36165172

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(cyclopropanecarbonyl)-5-fluoro-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(cyclopropaneca…

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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)	3.34	11.17	-15.96	0	4	0	41	382.46	3	↓ MOL2 SDF SMILES Flexibase

36165248

Analogs

36165250
36165208
36165210

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-5-fluoro-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopropanecarbonyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	11.86	-16.21	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36165250

Analogs

36165208
36165210
36165248

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-5-fluoro-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopropanecarbonyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	11.85	-16.19	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36165298

Analogs

36165300
36167350
36167351

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopropanecarbonyl)-5-fluoro-1-(m-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopropanecarbonyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.76	11.85	-16.35	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36165300

Analogs

36167350
36167351
36165298

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopropanecarbonyl)-5-fluoro-1-(m-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopropanecarbonyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.76	11.84	-16.19	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36165435

Analogs

36165437

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chlorophenyl)methyl]-3'-(cyclopropanecarbonyl)-5-fluoro-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)	3.97	11.52	-16.05	0	4	0	41	416.905	3	↓ MOL2 SDF SMILES Flexibase

36165437

Analogs

36165435

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chlorophenyl)methyl]-3'-(cyclopropanecarbonyl)-5-fluoro-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)	3.97	11.52	-17.01	0	4	0	41	416.905	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 73555
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 = 73555 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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": "73555"        

    });
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