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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Popular Name:

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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) 5.44 5.84 -15.25 0 6 0 65 487.527 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-benzoxyphenyl)-1-(4-chlorobenzyl)-4H-pyridine-3,5-dicarboxylic-acid-dimethyl-ester 4-(4-benzoxyphenyl)-1-(4-chlorob…

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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) 5.96 4.95 -14.32 0 6 0 65 503.982 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-benzoxyphenyl)-1-(4-chlorobenzyl)-4H-pyridine-3,5-dicarboxylic-acid-diethyl-ester 4-(4-benzoxyphenyl)-1-(4-chlorob…

    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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 6.71 18.81 -14.03 0 6 0 65 532.036 12 ↓

    Parameters Provided:

    ring.id = 239995
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 = 239995 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=239995&filter.purchasability=annotated

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    line: 245