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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    16604155
    16604155
    37116524
    37116524
    37116535
    37116535
    12382537
    12382537
    6599245
    6599245

    Draw Identity 99% 90% 80% 70%


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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) 2.63 7.82 -40.68 2 3 1 34 279.429 2 ↓

    Analogs

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    Popular Name: (5R)-N-(4-cyano-1-methyl-4-piperidyl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide (5R)-N-(4-cyano-1-methyl-4-piper…

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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) 2.71 8.12 -50.59 2 4 1 57 318.466 2 ↓
    Mid Mid (pH 6-8) 2.71 5.72 -12.48 1 4 0 56 317.458 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S)-N-(4-cyano-1-methyl-4-piperidyl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide (5S)-N-(4-cyano-1-methyl-4-piper…

    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) 2.71 8.12 -50.55 2 4 1 57 318.466 2 ↓
    Mid Mid (pH 6-8) 2.71 5.72 -12.49 1 4 0 56 317.458 2 ↓

    Parameters Provided:

    ring.id = 257508
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 = 257508 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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