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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(4-chlorophenyl)methyleneamino]-1,2,4-triazole-3,5-diol 4-[(4-chlorophenyl)methyleneamin…

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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) 0.86 0.96 -22.91 2 6 0 83 238.634 2 ↓
    Hi High (pH 8-9.5) 1.32 0.18 -45.37 1 6 -1 86 237.626 2 ↓

    Analogs

    4342658
    4342658

    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) 0.16 5.32 -11.11 0 5 0 49 205.217 1 ↓

    Analogs

    3933244
    3933244
    3933243
    3933243

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,2-dibenzoyl-4-phenyl-1,2,4-triazolidine-3,5-dione 1,2-dibenzoyl-4-phenyl-1,2,4-tri…

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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) 3.10 11.18 -15.26 0 7 0 83 385.379 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,2-diphenacyl-4-phenyl-1,2,4-triazolidine-3,5-dione 1,2-diphenacyl-4-phenyl-1,2,4-tr…

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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) 2.45 13.1 -21.27 0 7 0 83 413.433 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,2-dimethyl-4-(3-nitrophenyl)-1,2,4-triazolidine-3,5-dione 1,2-dimethyl-4-(3-nitrophenyl)-1…

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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) 0.30 6.04 -13.8 0 8 0 95 250.214 2 ↓

    Parameters Provided:

    ring.id = 127002
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 = 127002 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=127002&filter.purchasability=annotated

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