ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36152176

Analogs

36152182
35743678
35743680

Draw Identity 99% 90% 80% 70%

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

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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)	4.60	13.59	-16.46	0	4	0	41	420.578	3	↓ MOL2 SDF SMILES Flexibase

36152182

Analogs

35743678
35743680
36152176

Draw Identity 99% 90% 80% 70%

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

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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)	4.60	13.54	-17.16	0	4	0	41	420.578	3	↓ MOL2 SDF SMILES Flexibase

36152376

Analogs

36152378
36152432
36152434

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclobutanecarbonyl)-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)	3.53	11.71	-16.55	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36152378

Analogs

36152432
36152434
36152376

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclobutanecarbonyl)-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)	3.53	11.68	-16.86	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36152471

Analogs

36152475
36152528
36152530
36164346
36164349

Draw Identity 99% 90% 80% 70%

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

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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)	3.37	11.63	-17.55	0	4	0	41	378.497	3	↓ MOL2 SDF SMILES Flexibase

36152475

Analogs

36152528
36152530
36164346
36164349
36152471

Draw Identity 99% 90% 80% 70%

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

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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)	3.37	11.61	-17.29	0	4	0	41	378.497	3	↓ MOL2 SDF SMILES Flexibase

36152571

Analogs

36152575
36152622
36152625

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclobutanecarbonyl)-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)	3.77	12.65	-17.49	0	4	0	41	392.524	3	↓ MOL2 SDF SMILES Flexibase

36152575

Analogs

36152622
36152625
36152571

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclobutanecarbonyl)-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)	3.77	12.66	-17.79	0	4	0	41	392.524	3	↓ MOL2 SDF SMILES Flexibase

36152657

Analogs

36152659
36152711
36152714

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-1-[(4-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine]- (3R)-3'-(cyclobutanecarbonyl)-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)	3.96	12.38	-16.3	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36152659

Analogs

36152711
36152714
36152657

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-1-[(4-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine]- (3S)-3'-(cyclobutanecarbonyl)-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)	3.96	12.34	-16.59	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36152830

Analogs

36152834
36152887
36152890

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-1-[(4-fluorophenyl)methyl]-5',5'-dimethyl-spiro[indoline-3,2'-thiazoli (3R)-3'-(cyclobutanecarbonyl)-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)	4.34	12.96	-16.01	0	4	0	41	424.541	3	↓ MOL2 SDF SMILES Flexibase

36152834

Analogs

36152887
36152890
36152830

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-1-[(4-fluorophenyl)methyl]-5',5'-dimethyl-spiro[indoline-3,2'-thiazoli (3S)-3'-(cyclobutanecarbonyl)-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)	4.34	12.94	-16.51	0	4	0	41	424.541	3	↓ MOL2 SDF SMILES Flexibase

36152933

Analogs

36152937
36152991
36152995

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	12.9	-16.6	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36152937

Analogs

36152991
36152995
36152933

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	12.87	-17.37	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36153048

Analogs

36153050
36153109
36153113

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-5',5'-dimethyl-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-on (3R)-3'-(cyclobutanecarbonyl)-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)	4.58	13.93	-17.25	0	4	0	41	420.578	3	↓ MOL2 SDF SMILES Flexibase

36153050

Analogs

36153109
36153113
36153048

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-5',5'-dimethyl-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-on (3S)-3'-(cyclobutanecarbonyl)-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)	4.58	13.93	-17.53	0	4	0	41	420.578	3	↓ MOL2 SDF SMILES Flexibase

36153155

Analogs

36153159
35743714
35743712

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-1-[(4-fluorophenyl)methyl]-5,5',5'-trimethyl-spiro[indoline-3,2'-thiaz (3R)-3'-(cyclobutanecarbonyl)-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)	4.77	13.66	-15.87	0	4	0	41	438.568	3	↓ MOL2 SDF SMILES Flexibase

36153159

Analogs

35743714
36153155
35743712

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-1-[(4-fluorophenyl)methyl]-5,5',5'-trimethyl-spiro[indoline-3,2'-thiaz (3S)-3'-(cyclobutanecarbonyl)-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)	4.77	13.6	-16.29	0	4	0	41	438.568	3	↓ MOL2 SDF SMILES Flexibase

36155359

Analogs

36155361
35744006
35744008

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chlorophenyl)methyl]-3'-(cyclobutanecarbonyl)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)	4.00	11.97	-16.92	0	4	0	41	412.942	3	↓ MOL2 SDF SMILES Flexibase

36155361

Analogs

35744006
35744008
36155359

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chlorophenyl)methyl]-3'-(cyclobutanecarbonyl)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)	4.00	11.95	-18.2	0	4	0	41	412.942	3	↓ MOL2 SDF SMILES Flexibase

36155583

Analogs

36155587
35744009
35744011

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-5-chloro-3'-(cyclobutanecarbonyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-o (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)	4.83	13.42	-14.82	0	4	0	41	440.996	3	↓ MOL2 SDF SMILES Flexibase

36155587

Analogs

35744009
35744011
36155583

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-5-chloro-3'-(cyclobutanecarbonyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-o (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)	4.83	13.38	-15.34	0	4	0	41	440.996	3	↓ MOL2 SDF SMILES Flexibase

36155660

Analogs

36155663
35744019
35744021
35744055
35744056

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-chloro-3'-(cyclobutanecarbonyl)-5',5'-dimethyl-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolid (3R)-5-chloro-3'-(cyclobutanecar…

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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	14.45	-15.05	0	4	0	41	455.023	3	↓ MOL2 SDF SMILES Flexibase

36155663

Analogs

35744019
35744021
35744055
35744056
36155660

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-chloro-3'-(cyclobutanecarbonyl)-5',5'-dimethyl-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolid (3S)-5-chloro-3'-(cyclobutanecar…

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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	14.45	-15.27	0	4	0	41	455.023	3	↓ MOL2 SDF SMILES Flexibase

36164258

Analogs

36164261
36164305
36164309
35744982
35744983

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-1-[(2-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclobutanecarbonyl)-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)	3.49	11.43	-17.12	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36164261

Analogs

36164305
36164309
35744982
35744983
36164258

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-1-[(2-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclobutanecarbonyl)-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)	3.49	11.41	-16.45	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36164346

Analogs

36164349
36164389
36164392
36152471
36152475

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclobutanecarbonyl)-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)	3.82	12.31	-17.67	0	4	0	41	392.524	3	↓ MOL2 SDF SMILES Flexibase

36164349

Analogs

36164389
36164392
36152471
36152475
36164346

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclobutanecarbonyl)-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)	3.82	12.29	-17.44	0	4	0	41	392.524	3	↓ MOL2 SDF SMILES Flexibase

36164689

Analogs

36164692
36164732
36164735
35744994
35744996

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-1-[(2-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine]- (3R)-3'-(cyclobutanecarbonyl)-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)	3.91	12.36	-19.95	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36164692

Analogs

36164732
36164735
35744994
35744996
35745007

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-1-[(2-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine]- (3S)-3'-(cyclobutanecarbonyl)-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)	3.91	12.31	-20.95	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36164779

Analogs

36164782
36164820
36164823
36167215
36167217

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-5-methyl-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclobutanecarbonyl)-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)	4.24	12.98	-17.49	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36164782

Analogs

36164820
36164823
36167215
36167217
35744870

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-5-methyl-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclobutanecarbonyl)-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)	4.24	12.96	-17.19	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36164948

Analogs

36164949
36164997
36165000

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine]- (3R)-3'-(cyclobutanecarbonyl)-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)	3.93	12.38	-18.52	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36164949

Analogs

36164997
36165000
36164948

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine]- (3S)-3'-(cyclobutanecarbonyl)-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)	3.93	12.34	-19.08	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36165152

Analogs

36165154
36165180
36165182
36165204
36165206

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-5-fluoro-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2 (3R)-3'-(cyclobutanecarbonyl)-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)	3.67	11.77	-15.8	0	4	0	41	414.477	3	↓ MOL2 SDF SMILES Flexibase

36165154

Analogs

36165180
36165182
36165204
36165206
36165339

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-5-fluoro-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2 (3S)-3'-(cyclobutanecarbonyl)-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)	3.67	11.74	-15.93	0	4	0	41	414.477	3	↓ MOL2 SDF SMILES Flexibase

36165204

Analogs

36165206
36165232
36165234
36165339
36165340

Draw Identity 99% 90% 80% 70%

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

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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)	3.51	11.7	-16.08	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36165206

Analogs

36165232
36165234
36165339
36165340
36165368

Draw Identity 99% 90% 80% 70%

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

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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)	3.51	11.67	-15.92	0	4	0	41	396.487	3	↓ MOL2 SDF SMILES Flexibase

36165232

Analogs

36165234
36165261
36165263
36165339
36165340

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-5-fluoro-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclobutanecarbonyl)-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)	3.96	12.38	-16.13	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36165234

Analogs

36165261
36165263
36165339
36165340
36165204

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-5-fluoro-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclobutanecarbonyl)-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)	3.96	12.35	-16.01	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36165339

Analogs

36165340
36165152
36165154
36165204
36165206

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclobutanecarbonyl)-5-fluoro-1-[(3-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2 (3R)-3'-(cyclobutanecarbonyl)-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)	3.65	11.77	-18.05	0	4	0	41	414.477	3	↓ MOL2 SDF SMILES Flexibase

36165340

Analogs

36165152
36165154
36165204
36165206
36165232

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclobutanecarbonyl)-5-fluoro-1-[(3-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2 (3S)-3'-(cyclobutanecarbonyl)-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)	3.65	11.74	-18.1	0	4	0	41	414.477	3	↓ MOL2 SDF SMILES Flexibase

36165406

Analogs

36165409
36165447
36165449

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chlorophenyl)methyl]-3'-(cyclobutanecarbonyl)-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)	4.14	12.04	-15.89	0	4	0	41	430.932	3	↓ MOL2 SDF SMILES Flexibase

36165409

Analogs

36165447
36165449
36165406

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chlorophenyl)methyl]-3'-(cyclobutanecarbonyl)-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)	4.14	12.02	-16.79	0	4	0	41	430.932	3	↓ MOL2 SDF SMILES Flexibase

36165610

Analogs

36165611
36165647
36165649
35744009
35744011

Draw Identity 99% 90% 80% 70%

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

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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)	4.47	12.83	-15.81	0	4	0	41	426.969	3	↓ MOL2 SDF SMILES Flexibase

36165611

Analogs

36165647
36165649
35744009
35744011
36165610

Draw Identity 99% 90% 80% 70%

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

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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)	4.47	12.81	-15.6	0	4	0	41	426.969	3	↓ MOL2 SDF SMILES Flexibase

36165674

Analogs

36165676
36165696
36165698
36167396
36167398

Draw Identity 99% 90% 80% 70%

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

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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)	4.45	12.82	-15.93	0	4	0	41	426.969	3	↓ MOL2 SDF SMILES Flexibase

36165676

Analogs

36165696
36165698
36167396
36167398
36165674

Draw Identity 99% 90% 80% 70%

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

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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)	4.45	12.79	-15.63	0	4	0	41	426.969	3	↓ MOL2 SDF SMILES Flexibase

36165716

Analogs

36165718
36165751
36165753

Draw Identity 99% 90% 80% 70%

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

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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)	4.65	12.49	-15.41	0	4	0	41	447.387	3	↓ MOL2 SDF SMILES Flexibase

36165718

Analogs

36165751
36165753
36165716

Draw Identity 99% 90% 80% 70%

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

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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)	4.65	12.47	-16.39	0	4	0	41	447.387	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 73529
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 = 73529 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=73529&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": "73529"        

    });
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