UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-cyano-7,7-dimethyl-5-[(E)-2-(5-methyl-2-furyl)vinyl]-6H-benzothiophen-2-yl]-2-[(4-ethyl-1,2,4-t N-[3-cyano-7,7-dimethyl-5-[(E)-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.61 14.79 -17.04 1 7 0 97 479.631 7 ↓

Analogs

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Popular Name: N-[3-cyano-7,7-dimethyl-5-[(E)-2-(5-methyl-2-furyl)vinyl]-6H-benzothiophen-2-yl]-2-(3-cyano-1,2,4-tr N-[3-cyano-7,7-dimethyl-5-[(E)-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.17 13.32 -22.72 1 8 0 121 444.52 5 ↓

Analogs

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Popular Name: (5R)-5-(2,2,2-trifluoroacetyl)-6,7-dihydro-5H-benzothiophen-4-one (5R)-5-(2,2,2-trifluoroacetyl)-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 6.42 -47.39 0 2 -1 40 247.217 2 ↓
Lo Low (pH 4.5-6) 3.09 5.51 -9.32 1 2 0 37 248.225 2 ↓

Analogs

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Popular Name: (5S)-4-oxo-6,7-dihydro-5H-benzothiophene-5-carbaldehyde (5S)-4-oxo-6,7-dihydro-5H-benzot…

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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) 2.82 3.78 -43.83 0 2 -1 40 179.22 1 ↓
Lo Low (pH 4.5-6) 2.82 3.21 -8.81 1 2 0 37 180.228 1 ↓

Analogs

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Popular Name: N-[3-cyano-5-[(E)-2-(4-ethoxyphenyl)vinyl]-7,7-dimethyl-6H-benzothiophen-2-yl]-2-(3-cyano-1,2,4-tria N-[3-cyano-5-[(E)-2-(4-ethoxyphe…

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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) 4.31 14.52 -22.27 1 8 0 117 484.585 7 ↓

Parameters Provided:

ring.id = 116565
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 = 116565 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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