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ZINC Item

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64976937

Analogs

8599547

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzoylindolin-5-yl)methyl]-4-methyl-benzenesulfonamide N-[(1-benzoylindolin-5-yl)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)	3.96	8.87	-20.3	1	5	0	66	406.507	5	↓ MOL2 SDF SMILES Flexibase

64976940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzoylindolin-5-yl)methyl]-4-chloro-benzenesulfonamide N-[(1-benzoylindolin-5-yl)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)	4.19	8.7	-17.88	1	5	0	66	426.925	5	↓ MOL2 SDF SMILES Flexibase

64976942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzoylindolin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide N-[(1-benzoylindolin-5-yl)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)	4.36	9.76	-20.02	1	5	0	66	460.477	6	↓ MOL2 SDF SMILES Flexibase

64976948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzoylindolin-5-yl)methyl]-2,5-dimethoxy-benzenesulfonamide N-[(1-benzoylindolin-5-yl)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)	3.55	7.3	-23.56	1	7	0	85	452.532	7	↓ MOL2 SDF SMILES Flexibase

64976951

Analogs

8599396

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzoylindolin-5-yl)methyl]-2,4-dimethyl-benzenesulfonamide N-[(1-benzoylindolin-5-yl)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)	4.33	9.73	-20.63	1	5	0	66	420.534	5	↓ MOL2 SDF SMILES Flexibase

64976952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzoylindolin-5-yl)methyl]-3,4-dimethyl-benzenesulfonamide N-[(1-benzoylindolin-5-yl)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)	4.33	9.41	-20.35	1	5	0	66	420.534	5	↓ MOL2 SDF SMILES Flexibase

64976953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzoylindolin-5-yl)methyl]-5-chloro-2-methoxy-benzenesulfonamide N-[(1-benzoylindolin-5-yl)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)	4.17	8.53	-21.78	1	6	0	76	456.951	6	↓ MOL2 SDF SMILES Flexibase

64976954

Analogs

8599472

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzoylindolin-5-yl)methyl]-3-chloro-4-methoxy-benzenesulfonamide N-[(1-benzoylindolin-5-yl)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)	4.17	8.05	-21.48	1	6	0	76	456.951	6	↓ MOL2 SDF SMILES Flexibase

64976955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzoylindolin-5-yl)methyl]-4-isobutyl-benzenesulfonamide N-[(1-benzoylindolin-5-yl)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)	4.81	10.88	-19.66	1	5	0	66	448.588	7	↓ MOL2 SDF SMILES Flexibase

64976956

Analogs

8599538

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1-benzoylindolin-5-yl)methylsulfamoyl]phenyl]propanamide N-[4-[(1-benzoylindolin-5-yl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.57	7.9	-25.13	2	7	0	96	463.559	7	↓ MOL2 SDF SMILES Flexibase

64976957

Analogs

8599547

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzoylindolin-5-yl)methyl]-4-ethyl-benzenesulfonamide N-[(1-benzoylindolin-5-yl)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)	4.42	9.63	-19.95	1	5	0	66	420.534	6	↓ MOL2 SDF SMILES Flexibase

64976958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzoylindolin-5-yl)methyl]-3-chloro-benzenesulfonamide N-[(1-benzoylindolin-5-yl)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)	4.16	8.7	-18.86	1	5	0	66	426.925	5	↓ MOL2 SDF SMILES Flexibase

64976960

Analogs

8599551

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzoylindolin-5-yl)methyl]-4-ethoxy-benzenesulfonamide N-[(1-benzoylindolin-5-yl)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)	3.94	8.41	-20.65	1	6	0	76	436.533	7	↓ MOL2 SDF SMILES Flexibase

64976961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1-benzoylindolin-5-yl)methylsulfamoyl]-4-methyl-phenyl]acetamide N-[2-[(1-benzoylindolin-5-yl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	8.33	-24.66	2	7	0	96	463.559	6	↓ MOL2 SDF SMILES Flexibase

64976962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzoylindolin-5-yl)methyl]-4-bromo-benzenesulfonamide N-[(1-benzoylindolin-5-yl)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)	4.32	8.81	-17.84	1	5	0	66	471.376	5	↓ MOL2 SDF SMILES Flexibase

64976965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1-benzoylindolin-5-yl)methylsulfamoyl]phenyl]-3-methyl-butanamide N-[4-[(1-benzoylindolin-5-yl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.34	9.26	-26.03	2	7	0	96	491.613	8	↓ MOL2 SDF SMILES Flexibase

64976967

Analogs

8599396

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,6-trimethyl-N-[[1-(4-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 2,4,6-trimethyl-N-[[1-(4-methylb…

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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)	5.16	10.89	-17.28	1	5	0	66	448.588	5	↓ MOL2 SDF SMILES Flexibase

64976968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[[1-(4-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-methoxy-N-[[1-(4-methylbenzoyl…

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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)	4.01	8.16	-18.92	1	6	0	76	436.533	6	↓ MOL2 SDF SMILES Flexibase

64976969

Analogs

8599547

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[[1-(4-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-methyl-N-[[1-(4-methylbenzoyl)…

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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	9.54	-18.2	1	5	0	66	420.534	5	↓ MOL2 SDF SMILES Flexibase

64976970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(4-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide N-[[1-(4-methylbenzoyl)indolin-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	8.86	-18.38	1	5	0	66	406.507	5	↓ MOL2 SDF SMILES Flexibase

64976971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[1-(4-methylbenzoyl)indolin-5-yl]methylsulfamoyl]phenyl]acetamide N-[4-[[1-(4-methylbenzoyl)indoli…

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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)	3.18	7.76	-23.51	2	7	0	96	463.559	6	↓ MOL2 SDF SMILES Flexibase

64976972

Analogs

8599437
8599452

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[[1-(4-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-tert-butyl-N-[[1-(4-methylbenz…

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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)	5.66	11.18	-17.73	1	5	0	66	462.615	6	↓ MOL2 SDF SMILES Flexibase

64976975

Analogs

8599444

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethoxy-N-[[1-(4-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 3,4-dimethoxy-N-[[1-(4-methylben…

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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)	3.60	8.07	-21.25	1	7	0	85	466.559	7	↓ MOL2 SDF SMILES Flexibase

64976977

Analogs

8599396

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-N-[[1-(4-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 2,4-dimethyl-N-[[1-(4-methylbenz…

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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)	4.78	10.41	-17.91	1	5	0	66	434.561	5	↓ MOL2 SDF SMILES Flexibase

64976978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-[[1-(4-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 3,4-dimethyl-N-[[1-(4-methylbenz…

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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)	4.78	10.06	-18.36	1	5	0	66	434.561	5	↓ MOL2 SDF SMILES Flexibase

64976979

Analogs

8599437
8599452

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-N-[[1-(4-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-isopropyl-N-[[1-(4-methylbenzo…

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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)	5.47	10.79	-17.74	1	5	0	66	448.588	6	↓ MOL2 SDF SMILES Flexibase

64976980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isobutyl-N-[[1-(4-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-isobutyl-N-[[1-(4-methylbenzoy…

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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)	5.26	11.54	-17.68	1	5	0	66	462.615	7	↓ MOL2 SDF SMILES Flexibase

64976981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[[1-(4-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 3-chloro-N-[[1-(4-methylbenzoyl)…

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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)	4.61	9.38	-18.67	1	5	0	66	440.952	5	↓ MOL2 SDF SMILES Flexibase

64976982

Analogs

8599455

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[[1-(4-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 2-chloro-N-[[1-(4-methylbenzoyl)…

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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)	4.59	8.92	-17.9	1	5	0	66	440.952	5	↓ MOL2 SDF SMILES Flexibase

64976985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,6-trimethyl-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 2,4,6-trimethyl-N-[[1-(3-methylb…

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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)	5.13	10.88	-17.6	1	5	0	66	448.588	5	↓ MOL2 SDF SMILES Flexibase

64976986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-methoxy-N-[[1-(3-methylbenzoyl…

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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)	3.99	8.15	-19.17	1	6	0	76	436.533	6	↓ MOL2 SDF SMILES Flexibase

64976987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-methyl-N-[[1-(3-methylbenzoyl)…

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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)	4.38	9.53	-20.47	1	5	0	66	420.534	5	↓ MOL2 SDF SMILES Flexibase

64976988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide N-[[1-(3-methylbenzoyl)indolin-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)	3.93	8.85	-18.65	1	5	0	66	406.507	5	↓ MOL2 SDF SMILES Flexibase

64976989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-chloro-N-[[1-(3-methylbenzoyl)…

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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)	4.61	9.37	-18.06	1	5	0	66	440.952	5	↓ MOL2 SDF SMILES Flexibase

64976991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-tert-butyl-N-[[1-(3-methylbenz…

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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)	5.64	11.17	-17.94	1	5	0	66	462.615	6	↓ MOL2 SDF SMILES Flexibase

64976992

Analogs

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Popular Name: N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide N-[[1-(3-methylbenzoyl)indolin-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)	4.78	10.43	-20.11	1	5	0	66	474.504	6	↓ MOL2 SDF SMILES Flexibase

64976996

Analogs

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Popular Name: 3,4-dimethoxy-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 3,4-dimethoxy-N-[[1-(3-methylben…

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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)	3.58	8.05	-21.57	1	7	0	85	466.559	7	↓ MOL2 SDF SMILES Flexibase

64976998

Analogs

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Popular Name: 2,4-dimethyl-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 2,4-dimethyl-N-[[1-(3-methylbenz…

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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)	4.76	10.4	-18.23	1	5	0	66	434.561	5	↓ MOL2 SDF SMILES Flexibase

64976999

Analogs

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Popular Name: 3,4-dimethyl-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 3,4-dimethyl-N-[[1-(3-methylbenz…

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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)	4.76	10.05	-18.67	1	5	0	66	434.561	5	↓ MOL2 SDF SMILES Flexibase

64977000

Analogs

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Popular Name: 4-isopropyl-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-isopropyl-N-[[1-(3-methylbenzo…

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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)	5.45	10.78	-18.03	1	5	0	66	448.588	6	↓ MOL2 SDF SMILES Flexibase

64977001

Analogs

8599472

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Popular Name: 3-chloro-4-methoxy-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 3-chloro-4-methoxy-N-[[1-(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)	4.60	8.71	-20.55	1	6	0	76	470.978	6	↓ MOL2 SDF SMILES Flexibase

64977002

Analogs

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Popular Name: 4-isobutyl-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-isobutyl-N-[[1-(3-methylbenzoy…

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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	11.53	-17.96	1	5	0	66	462.615	7	↓ MOL2 SDF SMILES Flexibase

64977003

Analogs

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Popular Name: N-[4-[[1-(3-methylbenzoyl)indolin-5-yl]methylsulfamoyl]phenyl]propanamide N-[4-[[1-(3-methylbenzoyl)indoli…

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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)	3.99	8.56	-25.27	2	7	0	96	477.586	7	↓ MOL2 SDF SMILES Flexibase

64977004

Analogs

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Popular Name: 4-ethyl-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-ethyl-N-[[1-(3-methylbenzoyl)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)	4.85	10.3	-20.1	1	5	0	66	434.561	6	↓ MOL2 SDF SMILES Flexibase

64977005

Analogs

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Popular Name: 3-chloro-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 3-chloro-N-[[1-(3-methylbenzoyl)…

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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)	4.59	9.37	-18.98	1	5	0	66	440.952	5	↓ MOL2 SDF SMILES Flexibase

64977006

Analogs

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Popular Name: 2-chloro-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 2-chloro-N-[[1-(3-methylbenzoyl)…

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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	8.91	-18.16	1	5	0	66	440.952	5	↓ MOL2 SDF SMILES Flexibase

64977008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-ethoxy-N-[[1-(3-methylbenzoyl)…

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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)	4.37	9.08	-20.8	1	6	0	76	450.56	7	↓ MOL2 SDF SMILES Flexibase

64977009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]benzenesulfonamide 4-bromo-N-[[1-(3-methylbenzoyl)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)	4.74	9.47	-17.93	1	5	0	66	485.403	5	↓ MOL2 SDF SMILES Flexibase

64977014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(4-chlorobenzoyl)indolin-5-yl]methyl]-2,4,6-trimethyl-benzenesulfonamide N-[[1-(4-chlorobenzoyl)indolin-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)	5.39	11.03	-16.49	1	5	0	66	469.006	5	↓ MOL2 SDF SMILES Flexibase

64977016

Analogs

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Popular Name: N-[[1-(4-chlorobenzoyl)indolin-5-yl]methyl]-4-methoxy-benzenesulfonamide N-[[1-(4-chlorobenzoyl)indolin-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	8.16	-18.25	1	6	0	76	456.951	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 372866
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 = 372866 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', {
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