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ZINC Item

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35368431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-dimethylphenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (2,5-dimethylphenyl)-(4,5,6,7-te…

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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)	5.29	10.98	-7.15	0	1	0	17	270.397	2	↓ MOL2 SDF SMILES Flexibase

35368446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5,6,7-tetrahydrobenzothiophen-2-yl-(2,3,5,6-tetramethylphenyl)methanone 4,5,6,7-tetrahydrobenzothiophen-…

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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)	6.05	11.95	-7.46	0	1	0	17	298.451	2	↓ MOL2 SDF SMILES Flexibase

35368460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-dimethoxyphenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (2,5-dimethoxyphenyl)-(4,5,6,7-t…

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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)	4.51	9.18	-10.87	0	3	0	36	302.395	4	↓ MOL2 SDF SMILES Flexibase

35368487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-difluorophenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (2,5-difluorophenyl)-(4,5,6,7-te…

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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)	4.72	9.44	-8.08	0	1	0	17	278.323	2	↓ MOL2 SDF SMILES Flexibase

35368518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5,6,7-tetrahydrobenzothiophen-2-yl-(2,4,6-trimethylphenyl)methanone 4,5,6,7-tetrahydrobenzothiophen-…

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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)	5.67	11.59	-7.25	0	1	0	17	284.424	2	↓ MOL2 SDF SMILES Flexibase

35368561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (4-fluorophenyl)-(4,5,6,7-tetrah…

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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)	4.63	9.36	-5.86	0	1	0	17	260.333	2	↓ MOL2 SDF SMILES Flexibase

35368575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-difluorophenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (2,4-difluorophenyl)-(4,5,6,7-te…

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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)	4.72	9.44	-8.27	0	1	0	17	278.323	2	↓ MOL2 SDF SMILES Flexibase

35368600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-tert-butylphenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (4-tert-butylphenyl)-(4,5,6,7-te…

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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)	6.17	11.61	-6.73	0	1	0	17	298.451	3	↓ MOL2 SDF SMILES Flexibase

35368628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(1R)-1-methylpropyl]phenyl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone [4-[(1R)-1-methylpropyl]phenyl]-…

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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)	6.32	11.86	-6.73	0	1	0	17	298.451	4	↓ MOL2 SDF SMILES Flexibase

35368629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(1S)-1-methylpropyl]phenyl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone [4-[(1S)-1-methylpropyl]phenyl]-…

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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)	6.32	11.86	-6.72	0	1	0	17	298.451	4	↓ MOL2 SDF SMILES Flexibase

35368645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-butylphenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (4-butylphenyl)-(4,5,6,7-tetrahy…

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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)	6.33	12.29	-6.95	0	1	0	17	298.451	5	↓ MOL2 SDF SMILES Flexibase

35368659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-dimethylphenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (2,4-dimethylphenyl)-(4,5,6,7-te…

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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)	5.29	10.98	-7.01	0	1	0	17	270.397	2	↓ MOL2 SDF SMILES Flexibase

35368674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)phenyl]acetamide N-[4-(4,5,6,7-tetrahydrobenzothi…

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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)	3.69	8.2	-14.16	1	3	0	46	299.395	3	↓ MOL2 SDF SMILES Flexibase

35368701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-propylphenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (4-propylphenyl)-(4,5,6,7-tetrah…

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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)	5.77	11.51	-6.94	0	1	0	17	284.424	4	↓ MOL2 SDF SMILES Flexibase

35368738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-isobutylphenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (4-isobutylphenyl)-(4,5,6,7-tetr…

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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)	5.77	11.98	-6.86	0	1	0	17	298.451	4	↓ MOL2 SDF SMILES Flexibase

35368766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-iodophenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (4-iodophenyl)-(4,5,6,7-tetrahyd…

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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)	5.55	10.39	-5.33	0	1	0	17	368.239	2	↓ MOL2 SDF SMILES Flexibase

35368780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-difluorophenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (3,4-difluorophenyl)-(4,5,6,7-te…

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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)	4.72	9.5	-5.29	0	1	0	17	278.323	2	↓ MOL2 SDF SMILES Flexibase

35368789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone phenyl(4,5,6,7-tetrahydrobenzoth…

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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)	4.47	9.29	-7.69	0	1	0	17	242.343	2	↓ MOL2 SDF SMILES Flexibase

35368799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (4-chlorophenyl)-(4,5,6,7-tetrah…

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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)	5.15	9.81	-5.64	0	1	0	17	276.788	2	↓ MOL2 SDF SMILES Flexibase

35368810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (4-bromophenyl)-(4,5,6,7-tetrahy…

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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)	5.28	9.91	-5.52	0	1	0	17	321.239	2	↓ MOL2 SDF SMILES Flexibase

35368824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (4-ethylphenyl)-(4,5,6,7-tetrahy…

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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)	5.38	10.73	-7.09	0	1	0	17	270.397	3	↓ MOL2 SDF SMILES Flexibase

35368837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethoxyphenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (4-ethoxyphenyl)-(4,5,6,7-tetrah…

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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)	4.90	9.53	-7.1	0	2	0	26	286.396	4	↓ MOL2 SDF SMILES Flexibase

35368846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxyphenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (4-methoxyphenyl)-(4,5,6,7-tetra…

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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)	4.52	8.6	-7.35	0	2	0	26	272.369	3	↓ MOL2 SDF SMILES Flexibase

35368890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5,6,7-tetrahydrobenzothiophen-2-yl-(2,4,6-trifluorophenyl)methanone 4,5,6,7-tetrahydrobenzothiophen-…

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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	9.93	-6.91	0	1	0	17	296.313	2	↓ MOL2 SDF SMILES Flexibase

35368989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: p-tolyl(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone p-tolyl(4,5,6,7-tetrahydrobenzot…

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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)	4.92	9.97	-7.4	0	1	0	17	256.37	2	↓ MOL2 SDF SMILES Flexibase

35369000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethoxyphenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (3,4-dimethoxyphenyl)-(4,5,6,7-t…

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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)	4.11	8.51	-9.6	0	3	0	36	302.395	4	↓ MOL2 SDF SMILES Flexibase

35369241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-isopropoxyphenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (4-isopropoxyphenyl)-(4,5,6,7-te…

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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	10.17	-6.94	0	2	0	26	300.423	4	↓ MOL2 SDF SMILES Flexibase

35369269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-fluoro-2-methoxy-phenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (5-fluoro-2-methoxy-phenyl)-(4,5…

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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)	4.62	9.95	-9.07	0	2	0	26	290.359	3	↓ MOL2 SDF SMILES Flexibase

35369312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-iodo-2-methoxy-phenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (5-iodo-2-methoxy-phenyl)-(4,5,6…

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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)	5.54	10.97	-8.61	0	2	0	26	398.265	3	↓ MOL2 SDF SMILES Flexibase

35369335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chloro-4-methoxy-phenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (3-chloro-4-methoxy-phenyl)-(4,5…

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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)	5.13	9.15	-6.8	0	2	0	26	306.814	3	↓ MOL2 SDF SMILES Flexibase

35369351

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-bromo-4-methoxy-phenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (3-bromo-4-methoxy-phenyl)-(4,5,…

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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)	5.26	9.26	-6.79	0	2	0	26	351.265	3	↓ MOL2 SDF SMILES Flexibase

35369374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-2-methoxy-phenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (5-bromo-2-methoxy-phenyl)-(4,5,…

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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)	5.26	10.5	-8.81	0	2	0	26	351.265	3	↓ MOL2 SDF SMILES Flexibase

35369389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethylphenyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (3,4-dimethylphenyl)-(4,5,6,7-te…

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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)	5.29	10.51	-7.68	0	1	0	17	270.397	2	↓ MOL2 SDF SMILES Flexibase

35369662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)phenyl]formamide N-methyl-N-[4-(4,5,6,7-tetrahydr…

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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)	3.95	9.06	-11.46	0	3	0	37	299.395	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 16099
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 = 16099 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=16099&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": "16099"        

    });
</script>

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