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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-(2-nitrophenyl)-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)ethanone 2-(2-nitrophenyl)-1-(4,5,6,7-tet…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.25 10.94 -13.32 0 4 0 63 301.367 4 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)ethanone 2-(4-methoxyphenyl)-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.39 9.81 -9.22 0 2 0 26 286.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-nitrophenyl)-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)ethanone 2-(4-nitrophenyl)-1-(4,5,6,7-tet…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.30 11.22 -11.82 0 4 0 63 301.367 4 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)ethanone 2-(4-fluorophenyl)-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.50 10.57 -8.41 0 1 0 17 274.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-methoxyphenyl)-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)ethanone 2-(3-methoxyphenyl)-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.37 9.81 -9.54 0 2 0 26 286.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)ethanone 2-(2-methoxyphenyl)-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.35 9.86 -9.18 0 2 0 26 286.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-fluorophenyl)-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)ethanone 2-(3-fluorophenyl)-1-(4,5,6,7-te…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.48 10.57 -8.6 0 1 0 17 274.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-fluorophenyl)-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)ethanone 2-(2-fluorophenyl)-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.45 10.54 -8.92 0 1 0 17 274.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-phenyl-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)ethanone 2-phenyl-1-(4,5,6,7-tetrahydrobe…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 10.51 -7.7 0 1 0 17 256.37 3 ↓

Parameters Provided:

ring.id = 587900
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 = 587900 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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