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

    11535528
    11535528
    13371902
    13371902
    34979975
    34979975

    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) 3.11 5.93 -16.07 3 5 0 89 303.387 4 ↓

    Analogs

    13371902
    13371902
    34979975
    34979975
    11535522
    11535522

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-amino-6-hydroxy-pyrimidin-2-yl)sulfanyl-1-(2,3,5,6-tetramethylphenyl)ethanone 2-(4-amino-6-hydroxy-pyrimidin-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) 3.49 6.63 -15.42 3 5 0 89 317.414 4 ↓

    Analogs

    6449034
    6449034
    9056643
    9056643

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-amino-6-hydroxy-pyrimidin-2-yl)sulfanyl-1-phenyl-ethanone 2-(4-amino-6-hydroxy-pyrimidin-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) 1.91 4.14 -17.23 3 5 0 89 261.306 4 ↓

    Analogs

    34990620
    34990620
    5155130
    5155130

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-fluorophenyl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)thio]ethan-1-one 1-(4-fluorophenyl)-2-[(4-hydroxy…

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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) 2.69 6.14 -12.86 1 4 0 63 278.308 4 ↓
    Hi High (pH 8-9.5) 3.14 4.15 -44.19 0 4 -1 66 277.3 4 ↓
    Mid Mid (pH 6-8) 2.69 5.53 -17.81 1 4 0 63 278.308 4 ↓

    Parameters Provided:

    ring.id = 40353
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 = 40353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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