ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36155809

Analogs

36155811
36163290
36163293
35744736
35744738

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-N-cyclohexyl-5-methoxy-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-1-benzyl-N-cyclohexyl-5-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)	5.15	11.24	-18.01	1	6	0	62	451.592	4	↓ MOL2 SDF SMILES Flexibase

36155811

Analogs

36163290
36163293
35744736
35744738
36155809

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-N-cyclohexyl-5-methoxy-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-1-benzyl-N-cyclohexyl-5-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)	5.15	11.24	-18.22	1	6	0	62	451.592	4	↓ MOL2 SDF SMILES Flexibase

36155820

Analogs

36155822

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-5',5'-dimethyl-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)	6.55	13.59	-16.53	1	5	0	53	484.065	3	↓ MOL2 SDF SMILES Flexibase

36155822

Analogs

36155820

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-5',5'-dimethyl-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)	6.55	13.58	-17.6	1	5	0	53	484.065	3	↓ MOL2 SDF SMILES Flexibase

36155862

Analogs

36155864

Draw Identity 99% 90% 80% 70%

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

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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)	6.58	13.72	-15.35	1	5	0	53	484.065	3	↓ MOL2 SDF SMILES Flexibase

36155864

Analogs

36155862

Draw Identity 99% 90% 80% 70%

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

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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)	6.58	13.71	-15.64	1	5	0	53	484.065	3	↓ MOL2 SDF SMILES Flexibase

36161759

Analogs

36161763

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-2-oxo-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3R)-N-cyclohexyl-2-oxo-1-(p-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)	5.56	12.62	-18.22	1	5	0	53	435.593	3	↓ MOL2 SDF SMILES Flexibase

36161763

Analogs

36161759

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-2-oxo-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-3'-carboxamide (3S)-N-cyclohexyl-2-oxo-1-(p-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)	5.56	12.64	-17.66	1	5	0	53	435.593	3	↓ MOL2 SDF SMILES Flexibase

36161960

Analogs

36161964

Draw Identity 99% 90% 80% 70%

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

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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)	5.15	11.25	-21.15	1	6	0	62	451.592	4	↓ MOL2 SDF SMILES Flexibase

36161964

Analogs

36161960

Draw Identity 99% 90% 80% 70%

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

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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)	5.15	11.26	-20.63	1	6	0	62	451.592	4	↓ MOL2 SDF SMILES Flexibase

36162486

Analogs

36162490
35744783
35744785

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.68	12.68	-16.81	1	5	0	53	453.583	3	↓ MOL2 SDF SMILES Flexibase

36162490

Analogs

35744783
35744785
36162486

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.68	12.68	-16.38	1	5	0	53	453.583	3	↓ MOL2 SDF SMILES Flexibase

36162701

Analogs

36162705

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.19	13.12	-16.4	1	5	0	53	470.038	3	↓ MOL2 SDF SMILES Flexibase

36162705

Analogs

36162701

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.19	13.14	-15.98	1	5	0	53	470.038	3	↓ MOL2 SDF SMILES Flexibase

36162734

Analogs

36162737

Draw Identity 99% 90% 80% 70%

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

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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)	5.80	11.76	-19.24	1	6	0	62	486.037	4	↓ MOL2 SDF SMILES Flexibase

36162737

Analogs

36162734

Draw Identity 99% 90% 80% 70%

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

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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)	5.80	11.77	-18.97	1	6	0	62	486.037	4	↓ MOL2 SDF SMILES Flexibase

36162762

Analogs

36162764

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-5-methoxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]spiro[indoline-3,2'-thiazolid (3R)-N-cyclohexyl-5-methoxy-2-ox…

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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	12.24	-17.42	1	6	0	62	519.589	5	↓ MOL2 SDF SMILES Flexibase

36162764

Analogs

36162762

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-5-methoxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]spiro[indoline-3,2'-thiazolid (3S)-N-cyclohexyl-5-methoxy-2-ox…

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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	12.24	-17.53	1	6	0	62	519.589	5	↓ MOL2 SDF SMILES Flexibase

36163226

Analogs

36163230

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-5-methoxy-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-ca (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)	5.78	11.63	-17.69	1	6	0	62	486.037	4	↓ MOL2 SDF SMILES Flexibase

36163230

Analogs

36163226

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-5-methoxy-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-ca (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)	5.78	11.63	-18.63	1	6	0	62	486.037	4	↓ MOL2 SDF SMILES Flexibase

36163290

Analogs

36163293
35744736
35744738
36155809
36155811

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.18	10.53	-21.34	1	7	0	71	481.618	5	↓ MOL2 SDF SMILES Flexibase

36163293

Analogs

35744736
35744738
36155809
36155811
36163290

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.18	10.54	-20.98	1	7	0	71	481.618	5	↓ MOL2 SDF SMILES Flexibase

36163303

Analogs

36163306

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-5-methoxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]spiro[indoline-3,2'-thiazolid (3R)-N-cyclohexyl-5-methoxy-2-ox…

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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)	6.02	12.26	-19.69	1	6	0	62	519.589	5	↓ MOL2 SDF SMILES Flexibase

36163306

Analogs

36163303

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-5-methoxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]spiro[indoline-3,2'-thiazolid (3S)-N-cyclohexyl-5-methoxy-2-ox…

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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)	6.02	12.26	-19.92	1	6	0	62	519.589	5	↓ MOL2 SDF SMILES Flexibase

36163578

Analogs

36163581

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-1-[(2,4-difluorophenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxam (3R)-N-cyclohexyl-1-[(2,4-difluo…

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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)	5.37	12.06	-20.14	1	5	0	53	457.546	3	↓ MOL2 SDF SMILES Flexibase

36163581

Analogs

36163578

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-1-[(2,4-difluorophenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxam (3S)-N-cyclohexyl-1-[(2,4-difluo…

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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)	5.37	12.06	-20.18	1	5	0	53	457.546	3	↓ MOL2 SDF SMILES Flexibase

36163656

Analogs

36163659
35744637
35744639

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-1-[(3,4-difluorophenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxam (3R)-N-cyclohexyl-1-[(3,4-difluo…

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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)	5.37	12.07	-19.84	1	5	0	53	457.546	3	↓ MOL2 SDF SMILES Flexibase

36163659

Analogs

35744637
35744639
36163656

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-1-[(3,4-difluorophenyl)methyl]-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-carboxam (3S)-N-cyclohexyl-1-[(3,4-difluo…

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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)	5.37	12.07	-19.42	1	5	0	53	457.546	3	↓ MOL2 SDF SMILES Flexibase

36163781

Analogs

36163785

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-2-oxo-spiro[indoline-3,2'-thiazolidine]-3' (3R)-N-cyclohexyl-1-[(2,4-difluo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.79	12.73	-19.84	1	5	0	53	471.573	3	↓ MOL2 SDF SMILES Flexibase

36163785

Analogs

36163781

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-2-oxo-spiro[indoline-3,2'-thiazolidine]-3' (3S)-N-cyclohexyl-1-[(2,4-difluo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.79	12.72	-20.09	1	5	0	53	471.573	3	↓ MOL2 SDF SMILES Flexibase

36163842

Analogs

36163845

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-1-[(3,4-difluorophenyl)methyl]-5-methyl-2-oxo-spiro[indoline-3,2'-thiazolidine]-3' (3R)-N-cyclohexyl-1-[(3,4-difluo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.79	12.74	-19.6	1	5	0	53	471.573	3	↓ MOL2 SDF SMILES Flexibase

36163845

Analogs

36163842

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Popular Name: (3S)-N-cyclohexyl-1-[(3,4-difluorophenyl)methyl]-5-methyl-2-oxo-spiro[indoline-3,2'-thiazolidine]-3' (3S)-N-cyclohexyl-1-[(3,4-difluo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.79	12.73	-19.22	1	5	0	53	471.573	3	↓ MOL2 SDF SMILES Flexibase

36164140

Analogs

36164143

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Popular Name: (3R)-N-cyclohexyl-1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-oxo-spiro[indoline-3,2'-thiazolidine]-3 (3R)-N-cyclohexyl-1-[(3,4-difluo…

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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)	5.40	11.36	-20.55	1	6	0	62	487.572	4	↓ MOL2 SDF SMILES Flexibase

36164143

Analogs

36164140

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-oxo-spiro[indoline-3,2'-thiazolidine]-3 (3S)-N-cyclohexyl-1-[(3,4-difluo…

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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)	5.40	11.36	-20.25	1	6	0	62	487.572	4	↓ MOL2 SDF SMILES Flexibase

36164239

Analogs

36164242

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Popular Name: (3R)-1-[(3-cyanophenyl)methyl]-N-cyclohexyl-5-methoxy-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-car (3R)-1-[(3-cyanophenyl)methyl]-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)	4.88	11.62	-21.11	1	7	0	86	476.602	4	↓ MOL2 SDF SMILES Flexibase

36164242

Analogs

36164239

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3-cyanophenyl)methyl]-N-cyclohexyl-5-methoxy-2-oxo-spiro[indoline-3,2'-thiazolidine]-3'-car (3S)-1-[(3-cyanophenyl)methyl]-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)	4.88	11.62	-21.84	1	7	0	86	476.602	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 75585
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 = 75585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=75585&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": "75585"        

    });
</script>

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