ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36152432

Analogs

36152434
36152376
36152378

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopentanecarbonyl)-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)	4.27	12.14	-16.36	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36152434

Analogs

36152376
36152378
36152432

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopentanecarbonyl)-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)	4.27	12.25	-16.68	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36152528

Analogs

36152530
36164389
36164392
36152471
36152475

Draw Identity 99% 90% 80% 70%

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

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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)	4.11	12.07	-17.37	0	4	0	41	392.524	3	↓ MOL2 SDF SMILES Flexibase

36152530

Analogs

36164389
36164392
36152471
36152475
36152528

Draw Identity 99% 90% 80% 70%

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

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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)	4.11	12.18	-17.13	0	4	0	41	392.524	3	↓ MOL2 SDF SMILES Flexibase

36152622

Analogs

36152625
36152571
36152575

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopentanecarbonyl)-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)	4.51	13.09	-17.33	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36152625

Analogs

36152571
36152575
36152622

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopentanecarbonyl)-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)	4.51	13.16	-17.55	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36152711

Analogs

36152714
36152657
36152659

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-1-[(4-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine] (3R)-3'-(cyclopentanecarbonyl)-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)	4.70	12.81	-16.16	0	4	0	41	424.541	3	↓ MOL2 SDF SMILES Flexibase

36152714

Analogs

36152657
36152659
36152711

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-1-[(4-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine] (3S)-3'-(cyclopentanecarbonyl)-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)	4.70	12.92	-16.54	0	4	0	41	424.541	3	↓ MOL2 SDF SMILES Flexibase

36152887

Analogs

36152890
36152830
36152834

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-1-[(4-fluorophenyl)methyl]-5',5'-dimethyl-spiro[indoline-3,2'-thiazol (3R)-3'-(cyclopentanecarbonyl)-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)	5.08	13.39	-15.83	0	4	0	41	438.568	3	↓ MOL2 SDF SMILES Flexibase

36152890

Analogs

36152830
36152834
36152887

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-1-[(4-fluorophenyl)methyl]-5',5'-dimethyl-spiro[indoline-3,2'-thiazol (3S)-3'-(cyclopentanecarbonyl)-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)	5.08	13.5	-16.23	0	4	0	41	438.568	3	↓ MOL2 SDF SMILES Flexibase

36152991

Analogs

36152995
36152933
36152937

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.92	13.33	-16.42	0	4	0	41	420.578	3	↓ MOL2 SDF SMILES Flexibase

36152995

Analogs

36152933
36152937
36152991

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.92	13.43	-17.09	0	4	0	41	420.578	3	↓ MOL2 SDF SMILES Flexibase

36153109

Analogs

36153113
36153048
36153050

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-5',5'-dimethyl-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-o (3R)-3'-(cyclopentanecarbonyl)-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)	5.32	14.36	-16.98	0	4	0	41	434.605	3	↓ MOL2 SDF SMILES Flexibase

36153113

Analogs

36153048
36153050
36153109

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-5',5'-dimethyl-1-(o-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-o (3S)-3'-(cyclopentanecarbonyl)-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)	5.32	14.43	-17.14	0	4	0	41	434.605	3	↓ MOL2 SDF SMILES Flexibase

36164305

Analogs

36164309
36166750
36166753
36164258
36164261

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-1-[(2-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopentanecarbonyl)-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)	4.22	11.87	-16.92	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36164309

Analogs

36166750
36166753
36164258
36164261
36164305

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-1-[(2-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopentanecarbonyl)-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)	4.22	11.99	-16.29	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36164389

Analogs

36164392
36152528
36152530
36164346
36164349

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopentanecarbonyl)-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)	4.56	12.75	-17.43	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36164392

Analogs

36152528
36152530
36164346
36164349
36164389

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopentanecarbonyl)-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)	4.56	12.86	-17.31	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36164478

Analogs

36164482
35744827
35744828

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-1-(m-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopentanecarbonyl)-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)	4.53	12.74	-17.63	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36164482

Analogs

35744827
35744828
36164478

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-1-(m-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopentanecarbonyl)-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)	4.53	12.85	-17.26	0	4	0	41	406.551	3	↓ MOL2 SDF SMILES Flexibase

36164571

Analogs

36164574
36166887
36166889

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-1-[(3-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopentanecarbonyl)-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)	4.25	12.14	-18.57	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36164574

Analogs

36166887
36166889
36164571

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-1-[(3-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopentanecarbonyl)-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)	4.25	12.25	-19.05	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

36164652

Analogs

36164655

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-1-[(3-methoxyphenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopentanecarbonyl)-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)	4.14	11.37	-20.28	0	5	0	50	422.55	4	↓ MOL2 SDF SMILES Flexibase

36164655

Analogs

36164652

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-1-[(3-methoxyphenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopentanecarbonyl)-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)	4.14	11.48	-20.23	0	5	0	50	422.55	4	↓ MOL2 SDF SMILES Flexibase

36164732

Analogs

36164735
36167055
36167058
36164689
36164692

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-1-[(2-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine] (3R)-3'-(cyclopentanecarbonyl)-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)	4.65	12.79	-19.66	0	4	0	41	424.541	3	↓ MOL2 SDF SMILES Flexibase

36164735

Analogs

36167055
36167058
36164689
36164692
36164732

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-1-[(2-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine] (3S)-3'-(cyclopentanecarbonyl)-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)	4.65	12.9	-20.77	0	4	0	41	424.541	3	↓ MOL2 SDF SMILES Flexibase

36164820

Analogs

36164823
36167264
36167266
35744876
36164779

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-5-methyl-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopentanecarbonyl)-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)	4.98	13.42	-17.22	0	4	0	41	420.578	3	↓ MOL2 SDF SMILES Flexibase

36164823

Analogs

36167264
36167266
35744876
36164779
36164782

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-5-methyl-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopentanecarbonyl)-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)	4.98	13.53	-17.11	0	4	0	41	420.578	3	↓ MOL2 SDF SMILES Flexibase

36164997

Analogs

36165000
36167174
36167177
36164948
36164949

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-1-[(3-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine] (3R)-3'-(cyclopentanecarbonyl)-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)	4.67	12.81	-18.27	0	4	0	41	424.541	3	↓ MOL2 SDF SMILES Flexibase

36165000

Analogs

36167174
36167177
36164948
36164949
36164997

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-1-[(3-fluorophenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine] (3S)-3'-(cyclopentanecarbonyl)-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)	4.67	12.92	-18.87	0	4	0	41	424.541	3	↓ MOL2 SDF SMILES Flexibase

36165131

Analogs

36165133

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-1-[(3-methoxyphenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine (3R)-3'-(cyclopentanecarbonyl)-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)	4.57	12.04	-19.6	0	5	0	50	436.577	4	↓ MOL2 SDF SMILES Flexibase

36165133

Analogs

36165131

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-1-[(3-methoxyphenyl)methyl]-5-methyl-spiro[indoline-3,2'-thiazolidine (3S)-3'-(cyclopentanecarbonyl)-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)	4.57	12.15	-20.21	0	5	0	50	436.577	4	↓ MOL2 SDF SMILES Flexibase

36165180

Analogs

36165182
36165368
36165371
35744882
35744884

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-5-fluoro-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]- (3R)-3'-(cyclopentanecarbonyl)-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	12.21	-15.67	0	4	0	41	428.504	3	↓ MOL2 SDF SMILES Flexibase

36165182

Analogs

36165368
36165371
35744882
35744884
36165152

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-5-fluoro-1-[(4-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]- (3S)-3'-(cyclopentanecarbonyl)-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	12.32	-15.93	0	4	0	41	428.504	3	↓ MOL2 SDF SMILES Flexibase

36165261

Analogs

36165263
36165368
36165371
35744882
35744884

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-5-fluoro-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(cyclopentanecarbonyl)-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)	4.70	12.82	-15.89	0	4	0	41	424.541	3	↓ MOL2 SDF SMILES Flexibase

36165263

Analogs

36165368
36165371
35744882
35744884
36165232

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-5-fluoro-1-(p-tolylmethyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(cyclopentanecarbonyl)-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)	4.70	12.93	-15.94	0	4	0	41	424.541	3	↓ MOL2 SDF SMILES Flexibase

36165368

Analogs

36165371
35744882
35744884
36152783
36152787

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(cyclopentanecarbonyl)-5-fluoro-1-[(3-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]- (3R)-3'-(cyclopentanecarbonyl)-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)	4.39	12.21	-17.86	0	4	0	41	428.504	3	↓ MOL2 SDF SMILES Flexibase

36165371

Analogs

35744882
35744884
36152783
36152787
36165180

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(cyclopentanecarbonyl)-5-fluoro-1-[(3-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]- (3S)-3'-(cyclopentanecarbonyl)-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)	4.39	12.32	-17.94	0	4	0	41	428.504	3	↓ MOL2 SDF SMILES Flexibase

36165447

Analogs

36165449
36165406
36165409

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chlorophenyl)methyl]-3'-(cyclopentanecarbonyl)-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)	4.88	12.48	-15.68	0	4	0	41	444.959	3	↓ MOL2 SDF SMILES Flexibase

36165449

Analogs

36165406
36165409
36165447

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chlorophenyl)methyl]-3'-(cyclopentanecarbonyl)-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)	4.88	12.57	-17.17	0	4	0	41	444.959	3	↓ MOL2 SDF SMILES Flexibase

36165490

Analogs

36165492

Draw Identity 99% 90% 80% 70%

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

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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	12.38	-14.65	0	4	0	41	444.959	3	↓ MOL2 SDF SMILES Flexibase

36165492

Analogs

36165490

Draw Identity 99% 90% 80% 70%

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

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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	12.51	-14.22	0	4	0	41	444.959	3	↓ MOL2 SDF SMILES Flexibase

36165647

Analogs

36165649
36165610
36165611

Draw Identity 99% 90% 80% 70%

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

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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)	5.21	13.26	-15.5	0	4	0	41	440.996	3	↓ MOL2 SDF SMILES Flexibase

36165649

Analogs

36165610
36165611
36165647

Draw Identity 99% 90% 80% 70%

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

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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)	5.21	13.38	-15.46	0	4	0	41	440.996	3	↓ MOL2 SDF SMILES Flexibase

36165696

Analogs

36165698
36167434
36167436
36165674
36165676

Draw Identity 99% 90% 80% 70%

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

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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	13.25	-15.68	0	4	0	41	440.996	3	↓ MOL2 SDF SMILES Flexibase

36165698

Analogs

36167434
36167436
36165674
36165676
36165696

Draw Identity 99% 90% 80% 70%

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

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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	13.37	-15.48	0	4	0	41	440.996	3	↓ MOL2 SDF SMILES Flexibase

36165751

Analogs

36165753
36165716
36165718

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-chloro-1-[(2-chlorophenyl)methyl]-3'-(cyclopentanecarbonyl)spiro[indoline-3,2'-thiazolidine]- (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)	5.39	12.92	-15.24	0	4	0	41	461.414	3	↓ MOL2 SDF SMILES Flexibase

36165753

Analogs

36165716
36165718
36165751

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-chloro-1-[(2-chlorophenyl)methyl]-3'-(cyclopentanecarbonyl)spiro[indoline-3,2'-thiazolidine]- (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)	5.39	13.02	-16.8	0	4	0	41	461.414	3	↓ MOL2 SDF SMILES Flexibase

36165801

Analogs

36165803

Draw Identity 99% 90% 80% 70%

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

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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	11.88	-18.4	0	5	0	50	456.995	4	↓ MOL2 SDF SMILES Flexibase

36165803

Analogs

36165801

Draw Identity 99% 90% 80% 70%

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

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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	12	-18.47	0	5	0	50	456.995	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 73678
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 = 73678 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<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": "73678"        

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