ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36152260

Analogs

36152263

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-ethyl-5-fluoro-3'-(4-fluorobenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-ethyl-5-fluoro-3'-(4-fluo…

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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)	3.66	10.73	-15.09	0	4	0	41	402.466	2	↓ MOL2 SDF SMILES Flexibase

36152263

Analogs

36152260

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-ethyl-5-fluoro-3'-(4-fluorobenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-ethyl-5-fluoro-3'-(4-fluo…

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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)	3.66	10.74	-14.66	0	4	0	41	402.466	2	↓ MOL2 SDF SMILES Flexibase

36152302

Analogs

36152305

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-ethyl-5-fluoro-3'-(4-methoxybenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-ethyl-5-fluoro-3'-(4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	9.98	-16.81	0	5	0	50	414.502	3	↓ MOL2 SDF SMILES Flexibase

36152305

Analogs

36152302

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-ethyl-5-fluoro-3'-(4-methoxybenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-ethyl-5-fluoro-3'-(4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	9.98	-15.49	0	5	0	50	414.502	3	↓ MOL2 SDF SMILES Flexibase

36152312

Analogs

36152315

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-ethyl-5-fluoro-5',5'-dimethyl-3'-(4-methylbenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-ethyl-5-fluoro-5',5'-dime…

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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)	3.94	11.34	-16	0	4	0	41	398.503	2	↓ MOL2 SDF SMILES Flexibase

36152315

Analogs

36152312

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-ethyl-5-fluoro-5',5'-dimethyl-3'-(4-methylbenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-ethyl-5-fluoro-5',5'-dime…

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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)	3.94	11.35	-15.57	0	4	0	41	398.503	2	↓ MOL2 SDF SMILES Flexibase

36152325

Analogs

36152327

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-ethyl-5-fluoro-3'-(2-fluorobenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-ethyl-5-fluoro-3'-(2-fluo…

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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)	3.61	10.76	-20.35	0	4	0	41	402.466	2	↓ MOL2 SDF SMILES Flexibase

36152327

Analogs

36152325

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-ethyl-5-fluoro-3'-(2-fluorobenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-ethyl-5-fluoro-3'-(2-fluo…

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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)	3.61	10.76	-20.19	0	4	0	41	402.466	2	↓ MOL2 SDF SMILES Flexibase

36152330

Analogs

36152332

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-ethyl-5-fluoro-3'-(3-fluorobenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-ethyl-5-fluoro-3'-(3-fluo…

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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)	3.63	10.73	-18.06	0	4	0	41	402.466	2	↓ MOL2 SDF SMILES Flexibase

36152332

Analogs

36152330

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-ethyl-5-fluoro-3'-(3-fluorobenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-ethyl-5-fluoro-3'-(3-fluo…

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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)	3.63	10.74	-17.62	0	4	0	41	402.466	2	↓ MOL2 SDF SMILES Flexibase

36152342

Analogs

36152345

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(4-chlorobenzoyl)-1-ethyl-5-fluoro-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(4-chlorobenzoyl)-1-ethy…

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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	11.19	-14.76	0	4	0	41	418.921	2	↓ MOL2 SDF SMILES Flexibase

36152345

Analogs

36152342

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(4-chlorobenzoyl)-1-ethyl-5-fluoro-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(4-chlorobenzoyl)-1-ethy…

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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	11.19	-14.35	0	4	0	41	418.921	2	↓ MOL2 SDF SMILES Flexibase

36152350

Analogs

36152354

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-ethyl-5-fluoro-3'-(3-methoxybenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-ethyl-5-fluoro-3'-(3-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	9.97	-15.1	0	5	0	50	414.502	3	↓ MOL2 SDF SMILES Flexibase

36152354

Analogs

36152350

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-ethyl-5-fluoro-3'-(3-methoxybenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-ethyl-5-fluoro-3'-(3-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	9.97	-18.53	0	5	0	50	414.502	3	↓ MOL2 SDF SMILES Flexibase

36152357

Analogs

36152360

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(3-chlorobenzoyl)-1-ethyl-5-fluoro-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(3-chlorobenzoyl)-1-ethy…

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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)	4.15	11.18	-17.15	0	4	0	41	418.921	2	↓ MOL2 SDF SMILES Flexibase

36152360

Analogs

36152357

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(3-chlorobenzoyl)-1-ethyl-5-fluoro-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(3-chlorobenzoyl)-1-ethy…

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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)	4.15	11.18	-16.74	0	4	0	41	418.921	2	↓ MOL2 SDF SMILES Flexibase

36152736

Analogs

36152739
36165196
36165198
36165322
36165324

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-ethyl-5-fluoro-3'-(4-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-ethyl-5-fluoro-3'-(4-fluo…

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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)	2.85	9.47	-15.77	0	4	0	41	374.412	2	↓ MOL2 SDF SMILES Flexibase

36152739

Analogs

36165196
36165198
36165322
36165324
36152736

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-ethyl-5-fluoro-3'-(4-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-ethyl-5-fluoro-3'-(4-fluo…

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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)	2.85	9.48	-15.29	0	4	0	41	374.412	2	↓ MOL2 SDF SMILES Flexibase

36152770

Analogs

36152773
36165212
36165214
36165360
36165362

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-ethyl-5-fluoro-3'-(2-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-ethyl-5-fluoro-3'-(2-fluo…

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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)	2.80	9.48	-20.77	0	4	0	41	374.412	2	↓ MOL2 SDF SMILES Flexibase

36152773

Analogs

36165212
36165214
36165360
36165362
36152770

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-ethyl-5-fluoro-3'-(2-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-ethyl-5-fluoro-3'-(2-fluo…

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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)	2.80	9.5	-20.58	0	4	0	41	374.412	2	↓ MOL2 SDF SMILES Flexibase

36152776

Analogs

36152779
36165216
36165218
36165364
36165366

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-ethyl-5-fluoro-3'-(3-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-ethyl-5-fluoro-3'-(3-fluo…

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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)	2.82	9.46	-18.59	0	4	0	41	374.412	2	↓ MOL2 SDF SMILES Flexibase

36152779

Analogs

36165216
36165218
36165364
36165366
36152776

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-ethyl-5-fluoro-3'-(3-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-ethyl-5-fluoro-3'-(3-fluo…

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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)	2.82	9.48	-18.16	0	4	0	41	374.412	2	↓ MOL2 SDF SMILES Flexibase

36152791

Analogs

36152793
36165274
36165276

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-ethyl-5-fluoro-3'-(3-methoxybenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-ethyl-5-fluoro-3'-(3-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.72	8.7	-15.59	0	5	0	50	386.448	3	↓ MOL2 SDF SMILES Flexibase

36152793

Analogs

36165274
36165276
36152791

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-ethyl-5-fluoro-3'-(3-methoxybenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-ethyl-5-fluoro-3'-(3-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.72	8.71	-15.3	0	5	0	50	386.448	3	↓ MOL2 SDF SMILES Flexibase

36152797

Analogs

36152800
36165385
36165387

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(3-chlorobenzoyl)-1-ethyl-5-fluoro-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(3-chlorobenzoyl)-1-ethy…

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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	9.91	-17.71	0	4	0	41	390.867	2	↓ MOL2 SDF SMILES Flexibase

36152800

Analogs

36165385
36165387
36152797

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(3-chlorobenzoyl)-1-ethyl-5-fluoro-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(3-chlorobenzoyl)-1-ethy…

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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	9.92	-17.22	0	4	0	41	390.867	2	↓ MOL2 SDF SMILES Flexibase

36153396

Analogs

36153398

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-chloro-3'-(4-methoxybenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-5-chloro-3'-(4-methoxybenzo…

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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)	3.44	7.51	-15.56	1	5	0	59	402.903	2	↓ MOL2 SDF SMILES Flexibase

36153398

Analogs

36153396

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-chloro-3'-(4-methoxybenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-5-chloro-3'-(4-methoxybenzo…

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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)	3.44	7.52	-14.19	1	5	0	59	402.903	2	↓ MOL2 SDF SMILES Flexibase

36153401

Analogs

36153404

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-chloro-5',5'-dimethyl-3'-(4-methylbenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-5-chloro-5',5'-dimethyl-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)	3.84	8.88	-14.28	1	4	0	49	386.904	1	↓ MOL2 SDF SMILES Flexibase

36153404

Analogs

36153401

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-chloro-5',5'-dimethyl-3'-(4-methylbenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-5-chloro-5',5'-dimethyl-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)	3.84	8.88	-14.66	1	4	0	49	386.904	1	↓ MOL2 SDF SMILES Flexibase

36153408

Analogs

36153412

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-chloro-3'-(2-fluorobenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-5-chloro-3'-(2-fluorobenzoy…

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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	8.28	-19.09	1	4	0	49	390.867	1	↓ MOL2 SDF SMILES Flexibase

36153412

Analogs

36153408

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-chloro-3'-(2-fluorobenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-5-chloro-3'-(2-fluorobenzoy…

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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	8.28	-18.77	1	4	0	49	390.867	1	↓ MOL2 SDF SMILES Flexibase

36153416

Analogs

36153420

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-chloro-3'-(3-fluorobenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-5-chloro-3'-(3-fluorobenzoy…

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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	8.26	-16.86	1	4	0	49	390.867	1	↓ MOL2 SDF SMILES Flexibase

36153420

Analogs

36153416

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-chloro-3'-(3-fluorobenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-5-chloro-3'-(3-fluorobenzoy…

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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	8.26	-16.31	1	4	0	49	390.867	1	↓ MOL2 SDF SMILES Flexibase

36153446

Analogs

36153450

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-methoxy-3'-(4-methoxybenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-5-methoxy-3'-(4-methoxybenz…

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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)	2.82	6.27	-17.45	1	6	0	68	398.484	3	↓ MOL2 SDF SMILES Flexibase

36153450

Analogs

36153446

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-methoxy-3'-(4-methoxybenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-5-methoxy-3'-(4-methoxybenz…

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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)	2.82	6.29	-16.24	1	6	0	68	398.484	3	↓ MOL2 SDF SMILES Flexibase

36153460

Analogs

36153462

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(2-fluorobenzoyl)-5-methoxy-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(2-fluorobenzoyl)-5-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	7.05	-21.03	1	5	0	59	386.448	2	↓ MOL2 SDF SMILES Flexibase

36153462

Analogs

36153460

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(2-fluorobenzoyl)-5-methoxy-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(2-fluorobenzoyl)-5-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	7.05	-20.84	1	5	0	59	386.448	2	↓ MOL2 SDF SMILES Flexibase

36153466

Analogs

36153469

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-(3-fluorobenzoyl)-5-methoxy-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-(3-fluorobenzoyl)-5-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.91	7.03	-18.68	1	5	0	59	386.448	2	↓ MOL2 SDF SMILES Flexibase

36153469

Analogs

36153466

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-(3-fluorobenzoyl)-5-methoxy-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-(3-fluorobenzoyl)-5-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.91	7.03	-18.22	1	5	0	59	386.448	2	↓ MOL2 SDF SMILES Flexibase

36153477

Analogs

36153480

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-methoxy-3'-(3-methoxybenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-5-methoxy-3'-(3-methoxybenz…

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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)	2.80	6.26	-15.88	1	6	0	68	398.484	3	↓ MOL2 SDF SMILES Flexibase

36153480

Analogs

36153477

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-methoxy-3'-(3-methoxybenzoyl)-5',5'-dimethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-5-methoxy-3'-(3-methoxybenz…

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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)	2.80	6.26	-19.29	1	6	0	68	398.484	3	↓ MOL2 SDF SMILES Flexibase

36153483

Analogs

36153487
36153490
36153494

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	2.21	7.16	-18.91	1	7	0	85	412.467	5	↓ MOL2 SDF SMILES Flexibase

36153487

Analogs

36153490
36153494
36153483

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	2.21	7.54	-16.75	1	7	0	85	412.467	5	↓ MOL2 SDF SMILES Flexibase

36153490

Analogs

36153494
36153483
36153487

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	2.21	7.37	-16.29	1	7	0	85	412.467	5	↓ MOL2 SDF SMILES Flexibase

36153494

Analogs

36153483
36153487
36153490

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	2.21	8.44	-12.74	1	7	0	85	412.467	5	↓ MOL2 SDF SMILES Flexibase

36165559

Analogs

36165560
36165591
36165593
35744904
35744906

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3'-benzoyl-5-chloro-1-ethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3R)-3'-benzoyl-5-chloro-1-ethyl…

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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	9.85	-16.4	0	4	0	41	372.877	2	↓ MOL2 SDF SMILES Flexibase

36165560

Analogs

36165591
36165593
35744904
35744906
36165559

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-benzoyl-5-chloro-1-ethyl-spiro[indoline-3,2'-thiazolidine]-2-one (3S)-3'-benzoyl-5-chloro-1-ethyl…

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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	9.86	-15.99	0	4	0	41	372.877	2	↓ MOL2 SDF SMILES Flexibase

36165567

Analogs

36165568

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-chloro-1-ethyl-3'-(2-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-5-chloro-1-ethyl-3'-(2-fluo…

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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	9.93	-20.49	0	4	0	41	390.867	2	↓ MOL2 SDF SMILES Flexibase

36165568

Analogs

36165567

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-chloro-1-ethyl-3'-(2-fluorobenzoyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-5-chloro-1-ethyl-3'-(2-fluo…

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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	9.95	-20.28	0	4	0	41	390.867	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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