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ZINC Item

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64977960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-3-methoxy-benzamide N-[(1-acetylindolin-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)	1.99	6.97	-18.13	1	5	0	59	324.38	4	↓ MOL2 SDF SMILES Flexibase

64977961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-4-chloro-benzamide N-[(1-acetylindolin-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)	2.64	8.26	-14.82	1	4	0	49	328.799	3	↓ MOL2 SDF SMILES Flexibase

64977963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-3-chloro-benzamide N-[(1-acetylindolin-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)	2.62	8.18	-16.32	1	4	0	49	328.799	3	↓ MOL2 SDF SMILES Flexibase

64977967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-3,5-dimethoxy-benzamide N-[(1-acetylindolin-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)	2.00	6.27	-17.37	1	6	0	68	354.406	5	↓ MOL2 SDF SMILES Flexibase

64977968

Analogs

8606991

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-4-(dimethylamino)benzamide N-[(1-acetylindolin-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)	2.06	8.06	-16.53	1	5	0	53	337.423	4	↓ MOL2 SDF SMILES Flexibase

64977969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-2-fluoro-benzamide N-[(1-acetylindolin-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)	2.08	7.81	-19.33	1	4	0	49	312.344	3	↓ MOL2 SDF SMILES Flexibase

64977976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-2-methyl-benzamide N-[(1-acetylindolin-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)	2.36	8.41	-15.04	1	4	0	49	308.381	3	↓ MOL2 SDF SMILES Flexibase

64977977

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-3-methyl-benzamide N-[(1-acetylindolin-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)	2.39	8.4	-15.98	1	4	0	49	308.381	3	↓ MOL2 SDF SMILES Flexibase

64977978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-4-methyl-benzamide N-[(1-acetylindolin-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)	2.41	8.32	-15.57	1	4	0	49	308.381	3	↓ MOL2 SDF SMILES Flexibase

64977982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-4-methoxy-benzamide N-[(1-acetylindolin-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)	2.02	7.05	-16.2	1	5	0	59	324.38	4	↓ MOL2 SDF SMILES Flexibase

64977986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-4-ethoxy-benzamide N-[(1-acetylindolin-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)	2.39	7.98	-15.96	1	5	0	59	338.407	5	↓ MOL2 SDF SMILES Flexibase

64977987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-2-methoxy-benzamide N-[(1-acetylindolin-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)	2.52	8.23	-18.81	1	5	0	59	324.38	4	↓ MOL2 SDF SMILES Flexibase

64977988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-2,6-difluoro-benzamide N-[(1-acetylindolin-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)	2.19	7.69	-18.6	1	4	0	49	330.334	3	↓ MOL2 SDF SMILES Flexibase

64977995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-2-chloro-benzamide N-[(1-acetylindolin-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)	2.59	8.25	-17.07	1	4	0	49	328.799	3	↓ MOL2 SDF SMILES Flexibase

64978006

Analogs

32203147

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-4-fluoro-benzamide N-[(1-acetylindolin-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)	2.12	7.81	-15.12	1	4	0	49	312.344	3	↓ MOL2 SDF SMILES Flexibase

64978009

Analogs

8606991

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]benzamide N-[(1-acetylindolin-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)	1.96	7.74	-15.89	1	4	0	49	294.354	3	↓ MOL2 SDF SMILES Flexibase

64978013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-acetylindolin-5-yl)methyl]-3-fluoro-benzamide N-[(1-acetylindolin-5-yl)methyl]…

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Activity (Go SEA)

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)	2.10	7.8	-17.17	1	4	0	49	312.344	3	↓ MOL2 SDF SMILES Flexibase

64978018

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1-propanoylindolin-5-yl)methyl]benzamide 3-methoxy-N-[(1-propanoylindolin…

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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)	2.16	7.85	-17.85	1	5	0	59	338.407	5	↓ MOL2 SDF SMILES Flexibase

64978020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1-propanoylindolin-5-yl)methyl]benzamide 4-chloro-N-[(1-propanoylindolin-…

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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)	2.81	9.07	-14.44	1	4	0	49	342.826	4	↓ MOL2 SDF SMILES Flexibase

64978023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(1-propanoylindolin-5-yl)methyl]benzamide 3-chloro-N-[(1-propanoylindolin-…

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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)	2.78	9.06	-16.07	1	4	0	49	342.826	4	↓ MOL2 SDF SMILES Flexibase

64978027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethoxy-N-[(1-propanoylindolin-5-yl)methyl]benzamide 2,4-dimethoxy-N-[(1-propanoylind…

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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	8.42	-19.02	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

64978028

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethoxy-N-[(1-propanoylindolin-5-yl)methyl]benzamide 3,4-dimethoxy-N-[(1-propanoylind…

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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)	1.78	7.78	-18.36	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

64978029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethoxy-N-[(1-propanoylindolin-5-yl)methyl]benzamide 3,5-dimethoxy-N-[(1-propanoylind…

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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)	2.17	7.16	-17.05	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

64978030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(dimethylamino)-N-[(1-propanoylindolin-5-yl)methyl]benzamide 4-(dimethylamino)-N-[(1-propanoy…

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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)	2.23	8.97	-16.34	1	5	0	53	351.45	5	↓ MOL2 SDF SMILES Flexibase

64978031

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(1-propanoylindolin-5-yl)methyl]benzamide 2-fluoro-N-[(1-propanoylindolin-…

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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)	2.25	8.63	-19.05	1	4	0	49	326.371	4	↓ MOL2 SDF SMILES Flexibase

64978041

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(1-propanoylindolin-5-yl)methyl]benzamide 3-methyl-N-[(1-propanoylindolin-…

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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)	2.56	9.22	-15.55	1	4	0	49	322.408	4	↓ MOL2 SDF SMILES Flexibase

64978042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1-propanoylindolin-5-yl)methyl]benzamide 4-methyl-N-[(1-propanoylindolin-…

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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)	2.58	9.23	-15.38	1	4	0	49	322.408	4	↓ MOL2 SDF SMILES Flexibase

64978048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-N-[(1-propanoylindolin-5-yl)methyl]benzamide 4-ethoxy-N-[(1-propanoylindolin-…

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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)	2.56	8.79	-15.58	1	5	0	59	352.434	6	↓ MOL2 SDF SMILES Flexibase

64978049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-N-[(1-propanoylindolin-5-yl)methyl]benzamide 2-ethoxy-N-[(1-propanoylindolin-…

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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)	3.06	10.03	-18.56	1	5	0	59	352.434	6	↓ MOL2 SDF SMILES Flexibase

64978051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1-propanoylindolin-5-yl)methyl]benzamide 2-methoxy-N-[(1-propanoylindolin…

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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)	2.69	9.11	-18.54	1	5	0	59	338.407	5	↓ MOL2 SDF SMILES Flexibase

64978053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-N-[(1-propanoylindolin-5-yl)methyl]benzamide 2,6-difluoro-N-[(1-propanoylindo…

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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)	2.36	8.51	-18.18	1	4	0	49	344.361	4	↓ MOL2 SDF SMILES Flexibase

64978059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1-propanoylindolin-5-yl)methyl]benzamide 2-chloro-N-[(1-propanoylindolin-…

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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)	2.76	9.07	-16.69	1	4	0	49	342.826	4	↓ MOL2 SDF SMILES Flexibase

64978070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-propanoylindolin-5-yl)methyl]benzamide N-[(1-propanoylindolin-5-yl)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)	2.13	8.55	-15.46	1	4	0	49	308.381	4	↓ MOL2 SDF SMILES Flexibase

64978072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1-propanoylindolin-5-yl)methyl]benzamide 3-fluoro-N-[(1-propanoylindolin-…

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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)	2.27	8.62	-16.79	1	4	0	49	326.371	4	↓ MOL2 SDF SMILES Flexibase

64978351

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 3-methoxy-N-[[1-(2-methylpropano…

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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)	3.08	8.35	-17.52	1	5	0	59	352.434	5	↓ MOL2 SDF SMILES Flexibase

64978352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 4-chloro-N-[[1-(2-methylpropanoy…

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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)	3.72	9.57	-14.11	1	4	0	49	356.853	4	↓ MOL2 SDF SMILES Flexibase

64978353

Analogs

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Popular Name: 3-(dimethylamino)-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 3-(dimethylamino)-N-[[1-(2-methy…

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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)	3.12	9.46	-16.2	1	5	0	53	365.477	5	↓ MOL2 SDF SMILES Flexibase

64978356

Analogs

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Popular Name: 3-chloro-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 3-chloro-N-[[1-(2-methylpropanoy…

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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)	3.70	9.56	-15.79	1	4	0	49	356.853	4	↓ MOL2 SDF SMILES Flexibase

64978357

Analogs

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Popular Name: 4-cyano-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 4-cyano-N-[[1-(2-methylpropanoyl…

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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	9.44	-16.85	1	5	0	73	347.418	4	↓ MOL2 SDF SMILES Flexibase

64978362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 2-fluoro-N-[[1-(2-methylpropanoy…

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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)	3.16	9.13	-18.68	1	4	0	49	340.398	4	↓ MOL2 SDF SMILES Flexibase

64978369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 2-methyl-N-[[1-(2-methylpropanoy…

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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	9.63	-14.19	1	4	0	49	336.435	4	↓ MOL2 SDF SMILES Flexibase

64978370

Analogs

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Popular Name: 3-methyl-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 3-methyl-N-[[1-(2-methylpropanoy…

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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)	3.47	9.73	-15.21	1	4	0	49	336.435	4	↓ MOL2 SDF SMILES Flexibase

64978371

Analogs

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Popular Name: 4-methyl-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 4-methyl-N-[[1-(2-methylpropanoy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.49	9.74	-15.01	1	4	0	49	336.435	4	↓ MOL2 SDF SMILES Flexibase

64978375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 4-methoxy-N-[[1-(2-methylpropano…

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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	8.36	-15.5	1	5	0	59	352.434	5	↓ MOL2 SDF SMILES Flexibase

64978378

Analogs

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Popular Name: 2-methoxy-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 2-methoxy-N-[[1-(2-methylpropano…

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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	9.61	-18.2	1	5	0	59	352.434	5	↓ MOL2 SDF SMILES Flexibase

64978382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 2-chloro-N-[[1-(2-methylpropanoy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	9.56	-16.36	1	4	0	49	356.853	4	↓ MOL2 SDF SMILES Flexibase

64978386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 4-fluoro-N-[[1-(2-methylpropanoy…

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Activity (Go SEA)

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)	3.21	9.12	-14.47	1	4	0	49	340.398	4	↓ MOL2 SDF SMILES Flexibase

64978387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide N-[[1-(2-methylpropanoyl)indolin…

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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)	3.04	9.05	-15.15	1	4	0	49	322.408	4	↓ MOL2 SDF SMILES Flexibase

64978391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[[1-(2-methylpropanoyl)indolin-5-yl]methyl]benzamide 3-fluoro-N-[[1-(2-methylpropanoy…

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Activity (Go SEA)

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	9.12	-16.5	1	4	0	49	340.398	4	↓ MOL2 SDF SMILES Flexibase

64978394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[[1-(3-methylbutanoyl)indolin-5-yl]methyl]benzamide 3-methoxy-N-[[1-(3-methylbutanoy…

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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)	2.94	9.2	-17	1	5	0	59	366.461	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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