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ZINC Item

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52944864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3-chlorophenyl)-1-(5-methylbenzofuran-2-yl)ethanamine (1R)-2-(3-chlorophenyl)-1-(5-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)	2.87	8.72	-46.67	3	2	1	41	286.782	3	↓ MOL2 SDF SMILES Flexibase

52944865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3-chlorophenyl)-1-(5-methylbenzofuran-2-yl)ethanamine (1S)-2-(3-chlorophenyl)-1-(5-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)	2.87	8.73	-44.39	3	2	1	41	286.782	3	↓ MOL2 SDF SMILES Flexibase

52944934

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(3-chlorophenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(3-ch…

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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)	2.45	8.06	-46.59	3	2	1	41	272.755	3	↓ MOL2 SDF SMILES Flexibase

52944935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(3-chlorophenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(3-ch…

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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)	2.45	8.07	-44.35	3	2	1	41	272.755	3	↓ MOL2 SDF SMILES Flexibase

52945034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(3-chlorophenyl)-N-methyl-ethanamine (1S)-1-(benzofuran-2-yl)-2-(3-ch…

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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)	4.70	9.59	-44.13	2	2	1	30	286.782	4	↓ MOL2 SDF SMILES Flexibase

52945035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(3-chlorophenyl)-N-methyl-ethanamine (1R)-1-(benzofuran-2-yl)-2-(3-ch…

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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)	4.70	9.84	-40.95	2	2	1	30	286.782	4	↓ MOL2 SDF SMILES Flexibase

62797285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol (1S)-1-(benzofuran-2-yl)-2-(3,5-…

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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)	4.32	8.57	-6.82	1	2	0	33	266.34	3	↓ MOL2 SDF SMILES Flexibase

62797286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol (1R)-1-(benzofuran-2-yl)-2-(3,5-…

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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)	4.32	8.43	-6.76	1	2	0	33	266.34	3	↓ MOL2 SDF SMILES Flexibase

62797293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(4-ethylphenyl)ethanol (1S)-1-(benzofuran-2-yl)-2-(4-et…

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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	8.69	-6.59	1	2	0	33	266.34	4	↓ MOL2 SDF SMILES Flexibase

62797294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(4-ethylphenyl)ethanol (1R)-1-(benzofuran-2-yl)-2-(4-et…

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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	8.55	-6.57	1	2	0	33	266.34	4	↓ MOL2 SDF SMILES Flexibase

62797301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(2,5-difluorophenyl)ethanol (1R)-1-(benzofuran-2-yl)-2-(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)	3.75	7.19	-6.78	1	2	0	33	274.266	3	↓ MOL2 SDF SMILES Flexibase

62797302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(2,5-difluorophenyl)ethanol (1S)-1-(benzofuran-2-yl)-2-(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)	3.75	7.48	-7.08	1	2	0	33	274.266	3	↓ MOL2 SDF SMILES Flexibase

62797311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(5-bromo-2-methoxy-phenyl)ethanol (1S)-1-(benzofuran-2-yl)-2-(5-br…

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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)	4.29	8.16	-7.07	1	3	0	43	347.208	4	↓ MOL2 SDF SMILES Flexibase

62797312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(5-bromo-2-methoxy-phenyl)ethanol (1R)-1-(benzofuran-2-yl)-2-(5-br…

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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)	4.29	7.08	-7.33	1	3	0	43	347.208	4	↓ MOL2 SDF SMILES Flexibase

62797313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(3-bromo-4-methoxy-phenyl)ethanol (1S)-1-(benzofuran-2-yl)-2-(3-br…

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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)	4.29	7.21	-8.82	1	3	0	43	347.208	4	↓ MOL2 SDF SMILES Flexibase

62797314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(3-bromo-4-methoxy-phenyl)ethanol (1R)-1-(benzofuran-2-yl)-2-(3-br…

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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)	4.29	7.07	-9.4	1	3	0	43	347.208	4	↓ MOL2 SDF SMILES Flexibase

62797315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(3-bromo-4-fluoro-phenyl)ethanol (1R)-1-(benzofuran-2-yl)-2-(3-br…

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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)	4.39	7.78	-8.14	1	2	0	33	335.172	3	↓ MOL2 SDF SMILES Flexibase

62797316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(3-bromo-4-fluoro-phenyl)ethanol (1S)-1-(benzofuran-2-yl)-2-(3-br…

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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)	4.39	7.91	-8.86	1	2	0	33	335.172	3	↓ MOL2 SDF SMILES Flexibase

62797319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(2-bromophenyl)ethanol (1R)-1-(benzofuran-2-yl)-2-(2-br…

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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)	4.25	7.58	-6.52	1	2	0	33	317.182	3	↓ MOL2 SDF SMILES Flexibase

62797320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(2-bromophenyl)ethanol (1S)-1-(benzofuran-2-yl)-2-(2-br…

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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)	4.25	8.15	-7.2	1	2	0	33	317.182	3	↓ MOL2 SDF SMILES Flexibase

62797335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol (1R)-1-(benzofuran-2-yl)-2-(2,4-…

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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)	3.75	7.19	-7.23	1	2	0	33	274.266	3	↓ MOL2 SDF SMILES Flexibase

62797336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol (1S)-1-(benzofuran-2-yl)-2-(2,4-…

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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)	3.75	7.48	-8.35	1	2	0	33	274.266	3	↓ MOL2 SDF SMILES Flexibase

62797337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(2-methoxy-5-methyl-phenyl)ethanol (1S)-1-(benzofuran-2-yl)-2-(2-me…

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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)	3.93	8.21	-7.6	1	3	0	43	282.339	4	↓ MOL2 SDF SMILES Flexibase

62797338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(2-methoxy-5-methyl-phenyl)ethanol (1R)-1-(benzofuran-2-yl)-2-(2-me…

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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)	3.93	7.13	-7.52	1	3	0	43	282.339	4	↓ MOL2 SDF SMILES Flexibase

62797475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(2-bromophenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(2-br…

Find On: PubMed — Wikipedia — Google

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)	2.56	8	-42.03	3	2	1	41	317.206	3	↓ MOL2 SDF SMILES Flexibase

62797476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(2-bromophenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(2-br…

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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	8.31	-35.56	3	2	1	41	317.206	3	↓ MOL2 SDF SMILES Flexibase

62797485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(2,4-…

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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)	2.05	7.61	-48.03	3	2	1	41	274.29	3	↓ MOL2 SDF SMILES Flexibase

62797486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(2,4-…

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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)	2.05	7.77	-42.48	3	2	1	41	274.29	3	↓ MOL2 SDF SMILES Flexibase

62797487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(2-methoxy-5-methyl-phenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(2-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)	2.23	7.96	-37.44	3	3	1	50	282.363	4	↓ MOL2 SDF SMILES Flexibase

62797488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(2-methoxy-5-methyl-phenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(2-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)	2.23	7.55	-41.07	3	3	1	50	282.363	4	↓ MOL2 SDF SMILES Flexibase

62797491

Analogs

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Popular Name: (1S)-1-(benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(2,4,…

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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)	3.00	9.47	-41.96	3	2	1	41	280.391	3	↓ MOL2 SDF SMILES Flexibase

62797492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(2,4,…

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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)	3.00	9.47	-41.93	3	2	1	41	280.391	3	↓ MOL2 SDF SMILES Flexibase

62797495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzofuran-2-yl)-2-(3-fluoro-4-methoxy-phenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(3-fl…

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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)	1.94	6.92	-51.8	3	3	1	50	286.326	4	↓ MOL2 SDF SMILES Flexibase

62797496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(3-fluoro-4-methoxy-phenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(3-fl…

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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)	1.94	6.92	-48.84	3	3	1	50	286.326	4	↓ MOL2 SDF SMILES Flexibase

62797497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(2,6-dichlorophenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(2,6-…

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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	8.55	-35.22	3	2	1	41	307.2	3	↓ MOL2 SDF SMILES Flexibase

62797498

Analogs

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Popular Name: (1S)-1-(benzofuran-2-yl)-2-(2,6-dichlorophenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(2,6-…

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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	8.56	-35.22	3	2	1	41	307.2	3	↓ MOL2 SDF SMILES Flexibase

62797529

Analogs

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Popular Name: (1S)-1-(benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(3,5-…

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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)	2.62	8.88	-42.83	3	2	1	41	266.364	3	↓ MOL2 SDF SMILES Flexibase

62797530

Analogs

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Popular Name: (1R)-1-(benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(3,5-…

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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)	2.62	8.88	-42.84	3	2	1	41	266.364	3	↓ MOL2 SDF SMILES Flexibase

62797535

Analogs

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Popular Name: (1S)-1-(benzofuran-2-yl)-2-(4-ethylphenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(4-et…

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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)	2.71	8.99	-42.86	3	2	1	41	266.364	4	↓ MOL2 SDF SMILES Flexibase

62797536

Analogs

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Popular Name: (1R)-1-(benzofuran-2-yl)-2-(4-ethylphenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(4-et…

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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)	2.71	8.99	-42.9	3	2	1	41	266.364	4	↓ MOL2 SDF SMILES Flexibase

62797541

Analogs

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Popular Name: (1R)-1-(benzofuran-2-yl)-2-(2,5-difluorophenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(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)	2.05	7.61	-44.25	3	2	1	41	274.29	3	↓ MOL2 SDF SMILES Flexibase

62797542

Analogs

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Popular Name: (1S)-1-(benzofuran-2-yl)-2-(2,5-difluorophenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(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)	2.05	7.77	-41.15	3	2	1	41	274.29	3	↓ MOL2 SDF SMILES Flexibase

62797547

Analogs

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Popular Name: (1S)-1-(benzofuran-2-yl)-2-(5-bromo-2-methoxy-phenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(5-br…

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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	7.91	-40.27	3	3	1	50	347.232	4	↓ MOL2 SDF SMILES Flexibase

62797548

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Popular Name: (1R)-1-(benzofuran-2-yl)-2-(5-bromo-2-methoxy-phenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(5-br…

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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	7.5	-41.81	3	3	1	50	347.232	4	↓ MOL2 SDF SMILES Flexibase

62797549

Analogs

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Popular Name: (1S)-1-(benzofuran-2-yl)-2-(3-bromo-4-methoxy-phenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(3-br…

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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	7.51	-49.73	3	3	1	50	347.232	4	↓ MOL2 SDF SMILES Flexibase

62797550

Analogs

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Popular Name: (1R)-1-(benzofuran-2-yl)-2-(3-bromo-4-methoxy-phenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(3-br…

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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	7.52	-46.85	3	3	1	50	347.232	4	↓ MOL2 SDF SMILES Flexibase

62797551

Analogs

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Popular Name: (1R)-1-(benzofuran-2-yl)-2-(3-bromo-4-fluoro-phenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(3-br…

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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)	2.70	8.21	-51.97	3	2	1	41	335.196	3	↓ MOL2 SDF SMILES Flexibase

62797552

Analogs

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Popular Name: (1S)-1-(benzofuran-2-yl)-2-(3-bromo-4-fluoro-phenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(3-br…

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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)	2.70	8.22	-49.51	3	2	1	41	335.196	3	↓ MOL2 SDF SMILES Flexibase

62797555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzofuran-2-yl)-2-(5-bromo-2-fluoro-phenyl)ethanamine (1R)-1-(benzofuran-2-yl)-2-(5-br…

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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)	2.70	8.18	-43.4	3	2	1	41	335.196	3	↓ MOL2 SDF SMILES Flexibase

62797556

Analogs

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Popular Name: (1S)-1-(benzofuran-2-yl)-2-(5-bromo-2-fluoro-phenyl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(5-br…

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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)	2.70	8.32	-40.63	3	2	1	41	335.196	3	↓ 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

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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