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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    23330327
    23330327
    42187676
    42187676

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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) 3.85 10.24 -7.24 1 5 0 71 301.39 3 ↓

    Analogs

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    Popular Name: N2-(1-adamantyl)-6-ethoxy-pyridine-2,5-diamine N2-(1-adamantyl)-6-ethoxy-pyridi…

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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) 4.03 6.23 -4.17 3 4 0 60 287.407 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N2-(1-adamantyl)-6-methoxy-pyridine-2,5-diamine N2-(1-adamantyl)-6-methoxy-pyrid…

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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) 3.65 5.29 -4.14 3 4 0 60 273.38 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1-adamantylamino)-5-amino-pyridine-3-carboxamide 2-(1-adamantylamino)-5-amino-pyr…

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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) 2.22 3.36 -8.61 5 5 0 94 286.379 3 ↓

    Parameters Provided:

    ring.id = 101298
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 = 101298 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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