ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

9421879

Analogs

8993139

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2,6-dichlorophenyl)methoxy]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-benzofuran-3-o 6-[(2,6-dichlorophenyl)methoxy]-…

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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)	6.75	14.19	-12.24	0	5	0	54	494.374	5	↓ MOL2 SDF SMILES Flexibase

9421930

Analogs

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Popular Name: 6-[(2-methoxyphenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylene]benzofuran-3-one 6-[(2-methoxyphenyl)methoxy]-7-m…

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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	3.08	-10.92	0	5	0	53	425.484	5	↓ MOL2 SDF SMILES Flexibase

9421937

Analogs

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Popular Name: 6-[(4-bromophenyl)methoxy]-2-[(1-ethylindol-3-yl)methylene]benzofuran-3-one 6-[(4-bromophenyl)methoxy]-2-[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.27	1.88	-10.65	0	4	0	44	474.354	5	↓ MOL2 SDF SMILES Flexibase

9421939

Analogs

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Popular Name: 2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7-methyl-6-(o-tolylmethoxy)benzofuran-3-one 2-[(1-ethyl-5-methoxy-indol-3-yl…

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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)	6.27	14.93	-11.8	0	5	0	54	453.538	6	↓ MOL2 SDF SMILES Flexibase

9421951

Analogs

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Popular Name: 6-[(2,5-dimethylphenyl)methoxy]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7-methyl-benzofuran-3-on 6-[(2,5-dimethylphenyl)methoxy]-…

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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)	6.69	3.74	-11.82	0	5	0	53	467.565	6	↓ MOL2 SDF SMILES Flexibase

9421960

Analogs

41504763
8992985
8993196

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-(p-tolylmethoxy)benzofuran-3-one 2-[(1-ethyl-5-methoxy-indol-3-yl…

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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)	5.94	2.97	-11.67	0	5	0	53	439.511	6	↓ MOL2 SDF SMILES Flexibase

9421964

Analogs

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Popular Name: 6-[(2-chlorophenyl)methoxy]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]benzofuran-3-one 6-[(2-chlorophenyl)methoxy]-2-[(…

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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)	5.74	2.44	-11.24	0	5	0	53	445.902	5	↓ MOL2 SDF SMILES Flexibase

9421975

Analogs

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Popular Name: 6-[(2,4-dichlorophenyl)methoxy]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-benzofuran-3-o 6-[(2,4-dichlorophenyl)methoxy]-…

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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)	6.77	2.69	-10.99	0	5	0	53	494.374	5	↓ MOL2 SDF SMILES Flexibase

9421991

Analogs

41504517

Draw Identity 99% 90% 80% 70%

Popular Name: 6-benzyloxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-benzofuran-3-one 6-benzyloxy-2-[(5-methoxy-1-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)	5.49	13.33	-12.07	0	5	0	54	425.484	5	↓ MOL2 SDF SMILES Flexibase

9422003

Analogs

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Popular Name: 2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-6-[(2-methoxyphenyl)methoxy]benzofuran-3-one 2-[(5-methoxy-1-methyl-indol-3-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)	5.12	2.69	-12.36	0	6	0	62	441.483	6	↓ MOL2 SDF SMILES Flexibase

9422025

Analogs

41504521

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-[(4-methoxyphenyl)methoxy]-7-methyl-benzofuran-3-one 2-[(1-ethyl-5-methoxy-indol-3-yl…

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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)	5.92	3.07	-13.14	0	6	0	62	469.537	7	↓ MOL2 SDF SMILES Flexibase

9422059

Analogs

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Popular Name: 6-[(2-chloro-6-fluoro-phenyl)methoxy]-2-[(1-ethylindol-3-yl)methylene]-7-methyl-benzofuran-3-one 6-[(2-chloro-6-fluoro-phenyl)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)	6.58	3.59	-10.96	0	4	0	44	461.92	5	↓ MOL2 SDF SMILES Flexibase

9422085

Analogs

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Popular Name: 6-[(3,4-dichlorophenyl)methoxy]-2-[(1-ethylindol-3-yl)methylene]-7-methyl-benzofuran-3-one 6-[(3,4-dichlorophenyl)methoxy]-…

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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)	7.12	2.77	-11.56	0	4	0	44	478.375	5	↓ MOL2 SDF SMILES Flexibase

9422112

Analogs

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Popular Name: 6-[(4-bromophenyl)methoxy]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]benzofuran-3-one 6-[(4-bromophenyl)methoxy]-2-[(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)	5.92	1.74	-12.57	0	5	0	53	490.353	5	↓ MOL2 SDF SMILES Flexibase

9422133

Analogs

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Popular Name: 2-[(1-ethylindol-3-yl)methylene]-6-[(4-fluorophenyl)methoxy]benzofuran-3-one 2-[(1-ethylindol-3-yl)methylene]…

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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)	5.62	3.38	-11.28	0	4	0	44	413.448	5	↓ MOL2 SDF SMILES Flexibase

9422152

Analogs

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Popular Name: 6-[(2,5-dimethylphenyl)methoxy]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]benzofuran-3-one 6-[(2,5-dimethylphenyl)methoxy]-…

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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)	6.31	3.34	-11.94	0	5	0	53	453.538	6	↓ MOL2 SDF SMILES Flexibase

9422210

Analogs

41504759

Draw Identity 99% 90% 80% 70%

Popular Name: 6-benzyloxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]benzofuran-3-one 6-benzyloxy-2-[(5-methoxy-1-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)	5.11	2.5	-12.16	0	5	0	53	411.457	5	↓ MOL2 SDF SMILES Flexibase

9422212

Analogs

41509170

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-[(2-fluorophenyl)methoxy]benzofuran-3-one 2-[(1-ethyl-5-methoxy-indol-3-yl…

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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)	5.60	3.49	-11.21	0	5	0	53	443.474	6	↓ MOL2 SDF SMILES Flexibase

9422244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2-methoxyphenyl)methoxy]-2-[(1-methylindol-3-yl)methylene]benzofuran-3-one 6-[(2-methoxyphenyl)methoxy]-2-[…

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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)	5.09	2.68	-10.85	0	5	0	53	411.457	5	↓ MOL2 SDF SMILES Flexibase

9422246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3-chlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylene]benzofuran-3-one 6-[(3-chlorophenyl)methoxy]-7-me…

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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)	6.11	2.75	-11.12	0	4	0	44	429.903	4	↓ MOL2 SDF SMILES Flexibase

9422259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-(o-tolylmethoxy)benzofuran-3-one 2-[(1-ethyl-5-methoxy-indol-3-yl…

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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)	5.89	3.02	-11.9	0	5	0	53	439.511	6	↓ MOL2 SDF SMILES Flexibase

9422314

Analogs

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Popular Name: 6-[(2,4-dichlorophenyl)methoxy]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]benzofuran-3-one 6-[(2,4-dichlorophenyl)methoxy]-…

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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)	6.40	2.29	-10.98	0	5	0	53	480.347	5	↓ MOL2 SDF SMILES Flexibase

9422319

Analogs

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Popular Name: 6-[(4-chlorophenyl)methoxy]-2-[(1-ethylindol-3-yl)methylene]benzofuran-3-one 6-[(4-chlorophenyl)methoxy]-2-[(…

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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)	6.13	2.49	-10.65	0	4	0	44	429.903	5	↓ MOL2 SDF SMILES Flexibase

9422320

Analogs

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Popular Name: 6-[(2-chlorophenyl)methoxy]-2-[(1-ethylindol-3-yl)methylene]-7-methyl-benzofuran-3-one 6-[(2-chlorophenyl)methoxy]-2-[(…

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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)	6.46	2.98	-9.48	0	4	0	44	443.93	5	↓ MOL2 SDF SMILES Flexibase

9422345

Analogs

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Popular Name: 6-[(2-chloro-6-fluoro-phenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylene]benzofuran-3-one 6-[(2-chloro-6-fluoro-phenyl)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)	6.20	3.44	-11.4	0	4	0	44	447.893	4	↓ MOL2 SDF SMILES Flexibase

9422355

Analogs

8993649

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2-chlorophenyl)methoxy]-2-[(1-methylindol-3-yl)methylene]benzofuran-3-one 6-[(2-chlorophenyl)methoxy]-2-[(…

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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)	5.71	2.43	-9.83	0	4	0	44	415.876	4	↓ MOL2 SDF SMILES Flexibase

41501042

Analogs

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Popular Name: (2Z)-6-[(4-bromophenyl)methoxy]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-benzofuran-3-o (2Z)-6-[(4-bromophenyl)methoxy]-…

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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)	6.30	14.11	-13.85	0	5	0	54	504.38	5	↓ MOL2 SDF SMILES Flexibase

41501046

Analogs

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Popular Name: (2Z)-6-[(4-bromophenyl)methoxy]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7-methyl-benzofuran-3-on (2Z)-6-[(4-bromophenyl)methoxy]-…

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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)	6.67	15.03	-13.4	0	5	0	54	518.407	6	↓ MOL2 SDF SMILES Flexibase

41501234

Analogs

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Popular Name: (2Z)-6-[(4-bromophenyl)methoxy]-4-methyl-2-[(1-methylindol-3-yl)methylene]benzofuran-3-one (2Z)-6-[(4-bromophenyl)methoxy]-…

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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)	6.27	14.73	-11.86	0	4	0	44	474.354	4	↓ MOL2 SDF SMILES Flexibase

41501238

Analogs

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Popular Name: (2Z)-6-[(4-bromophenyl)methoxy]-2-[(1-ethylindol-3-yl)methylene]-4-methyl-benzofuran-3-one (2Z)-6-[(4-bromophenyl)methoxy]-…

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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)	6.64	15.65	-11.54	0	4	0	44	488.381	5	↓ MOL2 SDF SMILES Flexibase

41501242

Analogs

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Popular Name: (2Z)-6-[(4-bromophenyl)methoxy]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-benzofuran-3-o (2Z)-6-[(4-bromophenyl)methoxy]-…

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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)	6.30	14.02	-14	0	5	0	54	504.38	5	↓ MOL2 SDF SMILES Flexibase

41501246

Analogs

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Popular Name: (2Z)-6-[(4-bromophenyl)methoxy]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-benzofuran-3-on (2Z)-6-[(4-bromophenyl)methoxy]-…

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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)	6.67	14.94	-13.63	0	5	0	54	518.407	6	↓ MOL2 SDF SMILES Flexibase

41501261

Analogs

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Popular Name: (2Z)-6-[(4-bromophenyl)methoxy]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]benzofuran-3-one (2Z)-6-[(4-bromophenyl)methoxy]-…

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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)	6.30	14.29	-13.39	0	5	0	54	504.38	6	↓ MOL2 SDF SMILES Flexibase

41501527

Analogs

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Popular Name: (2Z)-7-methyl-2-[(1-methylindol-3-yl)methylene]-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-7-methyl-2-[(1-methylindol-…

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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)	5.42	14.91	-16.65	0	7	0	90	440.455	5	↓ MOL2 SDF SMILES Flexibase

41501531

Analogs

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Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-7-methyl-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-2-[(1-ethylindol-3-yl)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)	5.79	15.83	-16.27	0	7	0	90	454.482	6	↓ MOL2 SDF SMILES Flexibase

41501535

Analogs

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Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-6-[(4-nitrophenyl)methoxy]benzofuran-3-on (2Z)-2-[(5-methoxy-1-methyl-indo…

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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	14.2	-18.57	0	8	0	99	470.481	6	↓ MOL2 SDF SMILES Flexibase

41501539

Analogs

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Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7-methyl-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-2-[(1-ethyl-5-methoxy-indol…

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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)	5.82	15.12	-18.18	0	8	0	99	484.508	7	↓ MOL2 SDF SMILES Flexibase

41501727

Analogs

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Popular Name: (2Z)-4-methyl-2-[(1-methylindol-3-yl)methylene]-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-4-methyl-2-[(1-methylindol-…

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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)	5.42	14.82	-16.77	0	7	0	90	440.455	5	↓ MOL2 SDF SMILES Flexibase

41501731

Analogs

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Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-4-methyl-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-2-[(1-ethylindol-3-yl)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)	5.79	15.74	-16.35	0	7	0	90	454.482	6	↓ MOL2 SDF SMILES Flexibase

41501735

Analogs

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Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-6-[(4-nitrophenyl)methoxy]benzofuran-3-on (2Z)-2-[(5-methoxy-1-methyl-indo…

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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	14.11	-18.94	0	8	0	99	470.481	6	↓ MOL2 SDF SMILES Flexibase

41501739

Analogs

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Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-2-[(1-ethyl-5-methoxy-indol…

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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)	5.82	15.03	-18.52	0	8	0	99	484.508	7	↓ MOL2 SDF SMILES Flexibase

41501767

Analogs

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Popular Name: (2Z)-2-[(1-methylindol-3-yl)methylene]-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-2-[(1-methylindol-3-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)	5.04	14.17	-16.68	0	7	0	90	426.428	5	↓ MOL2 SDF SMILES Flexibase

41501771

Analogs

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Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-2-[(1-ethylindol-3-yl)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)	5.42	15.09	-16.3	0	7	0	90	440.455	6	↓ MOL2 SDF SMILES Flexibase

41501775

Analogs

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Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-2-[(5-methoxy-1-methyl-indo…

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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)	5.07	13.46	-18.6	0	8	0	99	456.454	6	↓ MOL2 SDF SMILES Flexibase

41501779

Analogs

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Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-2-[(1-ethyl-5-methoxy-indol…

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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	14.38	-18.2	0	8	0	99	470.481	7	↓ MOL2 SDF SMILES Flexibase

41502225

Analogs

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Popular Name: methyl 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)	5.63	14.75	-15.67	0	6	0	71	453.494	6	↓ MOL2 SDF SMILES Flexibase

41502229

Analogs

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Popular Name: methyl 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)	6.00	15.67	-15.24	0	6	0	71	467.521	7	↓ MOL2 SDF SMILES Flexibase

41502233

Analogs

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Popular Name: methyl 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)	5.66	14.04	-17.8	0	7	0	80	483.52	7	↓ MOL2 SDF SMILES Flexibase

41502237

Analogs

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Popular Name: methyl 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)	6.04	14.96	-17.29	0	7	0	80	497.547	8	↓ MOL2 SDF SMILES Flexibase

41503656

Analogs

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Popular Name: (2Z)-6-[(2-chloro-4-fluoro-phenyl)methoxy]-4-methyl-2-[(1-methylindol-3-yl)methylene]benzofuran-3-on (2Z)-6-[(2-chloro-4-fluoro-pheny…

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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)	6.23	14.75	-10.88	0	4	0	44	447.893	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 7037
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 = 7037 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=7037&filter.purchasability=annotated

Embed Link to Results

<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": "7037"        

    });
</script>

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