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ZINC Item

Suppliers, Protomers, & Similar Substances

41636742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-1-(isoxazol-5-ylmethyl)indoline-2,3-dione 7-bromo-1-(isoxazol-5-ylmethyl)i…

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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)	1.98	5.43	-10.19	0	5	0	65	307.103	2	↓ MOL2 SDF SMILES Flexibase

41636746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 7-bromo-1-[(3-methylisoxazol-5-y…

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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)	2.20	5.99	-10.17	0	5	0	65	321.13	2	↓ MOL2 SDF SMILES Flexibase

42074720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(isoxazol-5-ylmethyl)-5,7-dimethyl-indoline-2,3-dione 1-(isoxazol-5-ylmethyl)-5,7-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)	2.02	5.97	-18.07	0	5	0	65	256.261	2	↓ MOL2 SDF SMILES Flexibase

42074746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,7-dimethyl-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 5,7-dimethyl-1-[(3-methylisoxazo…

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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)	2.24	6.56	-18.42	0	5	0	65	270.288	2	↓ MOL2 SDF SMILES Flexibase

42076521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(isoxazol-5-ylmethyl)-6,7-dimethyl-indoline-2,3-dione 1-(isoxazol-5-ylmethyl)-6,7-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)	2.02	5.96	-10.54	0	5	0	65	256.261	2	↓ MOL2 SDF SMILES Flexibase

42076552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-dimethyl-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 6,7-dimethyl-1-[(3-methylisoxazo…

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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)	2.24	6.55	-10.66	0	5	0	65	270.288	2	↓ MOL2 SDF SMILES Flexibase

42076775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methoxy-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 6-methoxy-1-[(3-methylisoxazol-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)	1.47	5.01	-17.46	0	6	0	74	272.26	3	↓ MOL2 SDF SMILES Flexibase

42076906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(isoxazol-5-ylmethyl)-6-methoxy-indoline-2,3-dione 1-(isoxazol-5-ylmethyl)-6-methox…

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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)	1.25	4.42	-11.58	0	6	0	74	258.233	3	↓ MOL2 SDF SMILES Flexibase

42077199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 6-chloro-1-[(3-methylisoxazol-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)	2.09	6.21	-15.97	0	5	0	65	276.679	2	↓ MOL2 SDF SMILES Flexibase

42077351

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-1-(isoxazol-5-ylmethyl)indoline-2,3-dione 6-chloro-1-(isoxazol-5-ylmethyl)…

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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)	1.87	5.63	-9.92	0	5	0	65	262.652	2	↓ MOL2 SDF SMILES Flexibase

42079163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-5-fluoro-1-(isoxazol-5-ylmethyl)indoline-2,3-dione 7-bromo-5-fluoro-1-(isoxazol-5-y…

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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)	1.12	5.47	-7.77	0	5	0	65	325.093	2	↓ MOL2 SDF SMILES Flexibase

42079191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-5-fluoro-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 7-bromo-5-fluoro-1-[(3-methyliso…

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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)	1.34	6.05	-7.86	0	5	0	65	339.12	2	↓ MOL2 SDF SMILES Flexibase

42101189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(isoxazol-5-ylmethyl)-4,6-dimethyl-indoline-2,3-dione 1-(isoxazol-5-ylmethyl)-4,6-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)	2.02	6.41	-11.09	0	5	0	65	256.261	2	↓ MOL2 SDF SMILES Flexibase

42101207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 4,6-dimethyl-1-[(3-methylisoxazo…

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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)	2.24	6.99	-11.25	0	5	0	65	270.288	2	↓ MOL2 SDF SMILES Flexibase

42102716

Analogs

5427425
6673696
6662243

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(isoxazol-5-ylmethyl)-5-methoxy-indoline-2,3-dione 1-(isoxazol-5-ylmethyl)-5-methox…

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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)	1.25	4.41	-12.26	0	6	0	74	258.233	3	↓ MOL2 SDF SMILES Flexibase

42102736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 5-methoxy-1-[(3-methylisoxazol-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)	1.47	4.98	-20.71	0	6	0	74	272.26	3	↓ MOL2 SDF SMILES Flexibase

42105327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-1-(isoxazol-5-ylmethyl)indoline-2,3-dione 5-ethyl-1-(isoxazol-5-ylmethyl)i…

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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)	2.11	6.54	-11.13	0	5	0	65	256.261	3	↓ MOL2 SDF SMILES Flexibase

42105356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 5-ethyl-1-[(3-methylisoxazol-5-y…

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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)	2.33	7.12	-11.28	0	5	0	65	270.288	3	↓ MOL2 SDF SMILES Flexibase

42108196

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(isoxazol-5-ylmethyl)-4,7-dimethyl-indoline-2,3-dione 1-(isoxazol-5-ylmethyl)-4,7-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)	2.02	5.97	-18.64	0	5	0	65	256.261	2	↓ MOL2 SDF SMILES Flexibase

42108225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,7-dimethyl-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 4,7-dimethyl-1-[(3-methylisoxazo…

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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)	2.24	6.56	-18.97	0	5	0	65	270.288	2	↓ MOL2 SDF SMILES Flexibase

42111421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-(isoxazol-5-ylmethyl)indoline-2,3-dione 7-chloro-1-(isoxazol-5-ylmethyl)…

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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)	1.85	5.35	-10.46	0	5	0	65	262.652	2	↓ MOL2 SDF SMILES Flexibase

42111451

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 7-chloro-1-[(3-methylisoxazol-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)	2.07	5.77	-14.94	0	5	0	65	276.679	2	↓ MOL2 SDF SMILES Flexibase

42114169

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,7-difluoro-1-(isoxazol-5-ylmethyl)indoline-2,3-dione 5,7-difluoro-1-(isoxazol-5-ylmet…

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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)	0.48	5.06	-12.81	0	5	0	65	264.187	2	↓ MOL2 SDF SMILES Flexibase

42114199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,7-difluoro-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 5,7-difluoro-1-[(3-methylisoxazo…

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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)	0.70	5.64	-13.06	0	5	0	65	278.214	2	↓ MOL2 SDF SMILES Flexibase

42116605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-1-(isoxazol-5-ylmethyl)-5-methyl-indoline-2,3-dione 7-fluoro-1-(isoxazol-5-ylmethyl)…

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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)	1.73	5.75	-10.27	0	5	0	65	260.224	2	↓ MOL2 SDF SMILES Flexibase

42116635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-5-methyl-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 7-fluoro-5-methyl-1-[(3-methylis…

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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)	1.95	6.33	-10.46	0	5	0	65	274.251	2	↓ MOL2 SDF SMILES Flexibase

42118013

Analogs

2865574

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-(isoxazol-5-ylmethyl)-7-methyl-indoline-2,3-dione 5-bromo-1-(isoxazol-5-ylmethyl)-…

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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)	2.38	6.05	-9.86	0	5	0	65	321.13	2	↓ MOL2 SDF SMILES Flexibase

42118033

Analogs

2865574

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-7-methyl-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 5-bromo-7-methyl-1-[(3-methyliso…

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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)	2.60	6.64	-9.97	0	5	0	65	335.157	2	↓ MOL2 SDF SMILES Flexibase

42118975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-7-fluoro-1-(isoxazol-5-ylmethyl)indoline-2,3-dione 4-chloro-7-fluoro-1-(isoxazol-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)	1.96	5.58	-10.9	0	5	0	65	280.642	2	↓ MOL2 SDF SMILES Flexibase

42118985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-7-fluoro-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 4-chloro-7-fluoro-1-[(3-methylis…

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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)	2.18	6.08	-15.97	0	5	0	65	294.669	2	↓ MOL2 SDF SMILES Flexibase

42134903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-difluoro-1-(isoxazol-5-ylmethyl)indoline-2,3-dione 4,6-difluoro-1-(isoxazol-5-ylmet…

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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)	1.45	5.24	-18.31	0	5	0	65	264.187	2	↓ MOL2 SDF SMILES Flexibase

42134913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-difluoro-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 4,6-difluoro-1-[(3-methylisoxazo…

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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)	1.67	5.83	-18.41	0	5	0	65	278.214	2	↓ MOL2 SDF SMILES Flexibase

42135421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-fluoro-1-(isoxazol-5-ylmethyl)indoline-2,3-dione 5-bromo-6-fluoro-1-(isoxazol-5-y…

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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)	2.09	5.77	-15.77	0	5	0	65	325.093	2	↓ MOL2 SDF SMILES Flexibase

42135431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-fluoro-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 5-bromo-6-fluoro-1-[(3-methyliso…

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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)	2.32	6.35	-15.81	0	5	0	65	339.12	2	↓ MOL2 SDF SMILES Flexibase

42136187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-(isoxazol-5-ylmethyl)indoline-2,3-dione 4-chloro-1-(isoxazol-5-ylmethyl)…

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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)	1.85	5.61	-13.17	0	5	0	65	262.652	2	↓ MOL2 SDF SMILES Flexibase

42136197

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Popular Name: 4-chloro-1-[(3-methylisoxazol-5-yl)methyl]indoline-2,3-dione 4-chloro-1-[(3-methylisoxazol-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)	2.07	6.2	-22.33	0	5	0	65	276.679	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 558143
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 = 558143 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=558143&filter.purchasability=annotated

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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": "558143"        

    });
</script>

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