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ZINC Item

Suppliers, Protomers, & Similar Substances

57723558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[2-(hydroxymethyl)phenyl]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-N-[2-(hydroxymethyl)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)	3.36	6.31	-10.79	2	3	0	49	301.411	3	↓ MOL2 SDF SMILES Flexibase

57723560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[2-(hydroxymethyl)phenyl]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-N-[2-(hydroxymethyl)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)	3.36	6.31	-10.81	2	3	0	49	301.411	3	↓ MOL2 SDF SMILES Flexibase

58330760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-acetamido-5-bromo-phenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide N-(2-acetamido-5-bromo-phenyl)-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)	3.55	7.92	-14	2	4	0	58	393.306	3	↓ MOL2 SDF SMILES Flexibase

60584396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[5-(dimethylcarbamoyl)-2-methyl-phenyl]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxami (6R)-N-[5-(dimethylcarbamoyl)-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)	3.41	9.43	-19.43	1	4	0	49	356.491	3	↓ MOL2 SDF SMILES Flexibase

351978

Analogs

4173255
6365130
6503760
33809796
39884224

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide N-(4-ethylphenyl)-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)	4.51	-0.08	-9.23	1	2	0	29	285.412	3	↓ MOL2 SDF SMILES Flexibase

538699

Analogs

536997

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-ethyl-N-(2-ethylphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-6-ethyl-N-(2-ethylphenyl)-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)	5.44	0.79	-8.44	1	2	0	29	313.466	4	↓ MOL2 SDF SMILES Flexibase

538700

Analogs

536997

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-ethyl-N-(2-ethylphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-6-ethyl-N-(2-ethylphenyl)-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)	5.44	0.75	-8.36	1	2	0	29	313.466	4	↓ MOL2 SDF SMILES Flexibase

538942

Analogs

539469
539470
608527
5070299
9690204

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-ethyl-N-(3-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-6-ethyl-N-(3-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.60	-0.01	-12.16	1	3	0	38	315.438	4	↓ MOL2 SDF SMILES Flexibase

538943

Analogs

539469
539470
608527
5070299
9690204

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-ethyl-N-(3-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-6-ethyl-N-(3-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.60	-0.01	-12.16	1	3	0	38	315.438	4	↓ MOL2 SDF SMILES Flexibase

539278

Analogs

539279
540637
540638
536658
536659

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(2-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-N-(2-methoxyphenyl)-6-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)	4.08	8.08	-9.38	1	3	0	38	301.411	3	↓ MOL2 SDF SMILES Flexibase

539279

Analogs

540637
540638
536658
536659
539278

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(2-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-N-(2-methoxyphenyl)-6-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)	4.08	8.08	-9.4	1	3	0	38	301.411	3	↓ MOL2 SDF SMILES Flexibase

539348

Analogs

545158
545159

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-ethyl-N-o-phenetyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-6-ethyl-N-o-phenetyl-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)	4.95	0.12	-8.42	1	3	0	38	329.465	5	↓ MOL2 SDF SMILES Flexibase

539349

Analogs

545158
545159

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-ethyl-N-o-phenetyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-6-ethyl-N-o-phenetyl-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)	4.95	0.13	-8.38	1	3	0	38	329.465	5	↓ MOL2 SDF SMILES Flexibase

539405

Analogs

539406
534916
534917

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-ethyl-N-(o-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-6-ethyl-N-(o-tolyl)-4,5,6,7…

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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)	4.97	0.52	-8.89	1	2	0	29	299.439	3	↓ MOL2 SDF SMILES Flexibase

539406

Analogs

534916
534917
539405

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-ethyl-N-(o-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-6-ethyl-N-(o-tolyl)-4,5,6,7…

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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)	4.97	0.55	-8.97	1	2	0	29	299.439	3	↓ MOL2 SDF SMILES Flexibase

539469

Analogs

539470
541121
541122
542179
542180

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-methyl-N-p-phenetyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-6-methyl-N-p-phenetyl-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)	4.50	-0.16	-9.52	1	3	0	38	315.438	4	↓ MOL2 SDF SMILES Flexibase

539470

Analogs

541121
541122
542179
542180
6555166

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-methyl-N-p-phenetyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-6-methyl-N-p-phenetyl-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)	4.50	-0.16	-9.52	1	3	0	38	315.438	4	↓ MOL2 SDF SMILES Flexibase

539572

Analogs

534964
534965

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(3,5-dimethylphenyl)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-N-(3,5-dimethylphenyl)-6-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)	5.39	0.61	-9.05	1	2	0	29	313.466	3	↓ MOL2 SDF SMILES Flexibase

539573

Analogs

534964
534965

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(3,5-dimethylphenyl)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-N-(3,5-dimethylphenyl)-6-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)	5.39	0.63	-8.99	1	2	0	29	313.466	3	↓ MOL2 SDF SMILES Flexibase

539596

Analogs

540370
540371
540560
2708112
2708114

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(3,4-dimethylphenyl)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-N-(3,4-dimethylphenyl)-6-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)	5.39	0.58	-9.2	1	2	0	29	313.466	3	↓ MOL2 SDF SMILES Flexibase

539597

Analogs

540370
540371
540560
2708112
2708114

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(3,4-dimethylphenyl)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-N-(3,4-dimethylphenyl)-6-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)	5.39	0.58	-9.1	1	2	0	29	313.466	3	↓ MOL2 SDF SMILES Flexibase

539727

Analogs

539728
6953856
6954991
33809799
33809802

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(6R)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoic-acid-ethyl-ester 4-[[(6R)-6-methyl-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)	4.61	0.92	-10.78	1	4	0	55	343.448	5	↓ MOL2 SDF SMILES Flexibase

539728

Analogs

6953856
6954991
33809799
33809802
539727

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoic-acid-ethyl-ester 4-[[(6S)-6-methyl-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)	4.61	0.92	-10.8	1	4	0	55	343.448	5	↓ MOL2 SDF SMILES Flexibase

539754

Analogs

541221
5070191
5070193

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(2,4-dimethylphenyl)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-N-(2,4-dimethylphenyl)-6-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)	5.39	0.87	-9.08	1	2	0	29	313.466	3	↓ MOL2 SDF SMILES Flexibase

539946

Analogs

539947
6505228
6555165
6555473
6953868

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-methyl-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-6-methyl-N-[3-(trifluoromet…

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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)	4.94	1.99	-11.4	1	2	0	29	339.382	3	↓ MOL2 SDF SMILES Flexibase

539947

Analogs

6505228
6555165
6555473
6953868
6955003

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-methyl-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-6-methyl-N-[3-(trifluoromet…

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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)	4.94	1.99	-7.62	1	2	0	29	339.382	3	↓ MOL2 SDF SMILES Flexibase

540043

Analogs

540044
540962
540963
540964
540965

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-methyl-N-p-cumenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-6-methyl-N-p-cumenyl-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)	5.58	0.61	-8.68	1	2	0	29	313.466	3	↓ MOL2 SDF SMILES Flexibase

540044

Analogs

540962
540963
540964
540965
542393

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-methyl-N-p-cumenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-6-methyl-N-p-cumenyl-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)	5.58	0.63	-8.61	1	2	0	29	313.466	3	↓ MOL2 SDF SMILES Flexibase

540370

Analogs

540371
540933
540934
541901
541902

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(4-ethylphenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-N-(4-ethylphenyl)-6-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.98	0.3	-8.81	1	2	0	29	299.439	3	↓ MOL2 SDF SMILES Flexibase

540371

Analogs

540933
540934
541901
541902
543331

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(4-ethylphenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-N-(4-ethylphenyl)-6-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.98	0.29	-8.93	1	2	0	29	299.439	3	↓ MOL2 SDF SMILES Flexibase

540560

Analogs

540561
540933
540934
537272
537273

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(2,5-dimethylphenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-N-(2,5-dimethylphenyl)-6-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)	4.89	0.69	-9.17	1	2	0	29	299.439	2	↓ MOL2 SDF SMILES Flexibase

540561

Analogs

6912282
6912283
540560

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(2,5-dimethylphenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-N-(2,5-dimethylphenyl)-6-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)	4.89	0.71	-9.25	1	2	0	29	299.439	2	↓ MOL2 SDF SMILES Flexibase

540637

Analogs

539278

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-ethyl-N-(2-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-6-ethyl-N-(2-methoxyphenyl)…

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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)	4.58	0.12	-8.64	1	3	0	38	315.438	4	↓ MOL2 SDF SMILES Flexibase

540638

Analogs

539278

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-ethyl-N-(2-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-6-ethyl-N-(2-methoxyphenyl)…

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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)	4.58	0.12	-8.63	1	3	0	38	315.438	4	↓ MOL2 SDF SMILES Flexibase

540850

Analogs

254279
254284

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(3-chlorophenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-N-(3-chlorophenyl)-6-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.72	-0.32	-10.19	1	2	0	29	305.83	2	↓ MOL2 SDF SMILES Flexibase

540851

Analogs

254279
254284

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(3-chlorophenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-N-(3-chlorophenyl)-6-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.72	-0.32	-10.16	1	2	0	29	305.83	2	↓ MOL2 SDF SMILES Flexibase

540854

Analogs

540855
543252
543253

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(3-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-N-(3-fluorophenyl)-6-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	0.57	-11.43	1	2	0	29	289.375	2	↓ MOL2 SDF SMILES Flexibase

540855

Analogs

543252
543253
540854

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(3-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-N-(3-fluorophenyl)-6-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	0.57	-11.41	1	2	0	29	289.375	2	↓ MOL2 SDF SMILES Flexibase

540933

Analogs

2708112
2708114
534965
534964

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(3,4-dimethylphenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-N-(3,4-dimethylphenyl)-6-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)	4.89	0.43	-9.18	1	2	0	29	299.439	2	↓ MOL2 SDF SMILES Flexibase

540934

Analogs

2708112
2708114
534965
534964

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(3,4-dimethylphenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-N-(3,4-dimethylphenyl)-6-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)	4.89	0.44	-9.24	1	2	0	29	299.439	2	↓ MOL2 SDF SMILES Flexibase

540962

Analogs

540043
540044

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-methyl-N-[4-[(1R)-1-methylpropyl]phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-6-methyl-N-[4-[(1R)-1-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)	5.92	0.79	-8.53	1	2	0	29	327.493	4	↓ MOL2 SDF SMILES Flexibase

540963

Analogs

540043
540044

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-methyl-N-[4-[(1S)-1-methylpropyl]phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-6-methyl-N-[4-[(1S)-1-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)	5.92	0.79	-8.55	1	2	0	29	327.493	4	↓ MOL2 SDF SMILES Flexibase

540964

Analogs

540043
540044

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-methyl-N-[4-[(1R)-1-methylpropyl]phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-6-methyl-N-[4-[(1R)-1-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)	5.92	0.77	-8.69	1	2	0	29	327.493	4	↓ MOL2 SDF SMILES Flexibase

540965

Analogs

540043
540044

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-methyl-N-[4-[(1S)-1-methylpropyl]phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-6-methyl-N-[4-[(1S)-1-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)	5.92	0.77	-8.65	1	2	0	29	327.493	4	↓ MOL2 SDF SMILES Flexibase

541054

Analogs

534553
534554

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(2-chlorophenyl)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-N-(2-chlorophenyl)-6-ethyl-…

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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)	5.20	0	-6.82	1	2	0	29	319.857	3	↓ MOL2 SDF SMILES Flexibase

541055

Analogs

534553
534554

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(2-chlorophenyl)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-N-(2-chlorophenyl)-6-ethyl-…

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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)	5.20	-0.01	-6.61	1	2	0	29	319.857	3	↓ MOL2 SDF SMILES Flexibase

541121

Analogs

539469

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-ethyl-N-p-phenetyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-6-ethyl-N-p-phenetyl-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)	5.00	-0.01	-9.42	1	3	0	38	329.465	5	↓ MOL2 SDF SMILES Flexibase

541122

Analogs

539469

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-ethyl-N-p-phenetyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-6-ethyl-N-p-phenetyl-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)	5.00	0.01	-10.09	1	3	0	38	329.465	5	↓ MOL2 SDF SMILES Flexibase

541221

Analogs

5070191
5070193
539754

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(2,4-dimethylphenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-N-(2,4-dimethylphenyl)-6-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)	4.89	0.69	-9.09	1	2	0	29	299.439	2	↓ MOL2 SDF SMILES Flexibase

541222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(2,4-dimethylphenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-N-(2,4-dimethylphenyl)-6-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)	4.89	0.69	-9.14	1	2	0	29	299.439	2	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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