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

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    Popular Name: benzotriazol-1-yl-(5-bromo-2-hydroxy-phenyl)-methanone benzotriazol-1-yl-(5-bromo-2-hyd…

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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) 3.55 -0.57 -10.62 1 5 0 68 318.13 1 ↓

    Analogs

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    Popular Name: benzotriazol-1-yl-(2,4-dihydroxyphenyl)-methanone benzotriazol-1-yl-(2,4-dihydroxy…

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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) 2.27 -1.76 -11.69 2 6 0 88 255.233 1 ↓

    Analogs

    6747559
    6747559
    2801378
    2801378
    183719
    183719

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    Popular Name: benzotriazol-1-yl-(3-hydroxyphenyl)-methanone benzotriazol-1-yl-(3-hydroxyphen…

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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) 2.33 -0.56 -11.06 1 5 0 68 239.234 1 ↓

    Analogs

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    Popular Name: 5-(benzotriazole-1-carbonyl)-2-chloro-N,N-diethyl-benzenesulfonamide 5-(benzotriazole-1-carbonyl)-2-c…

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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) 3.50 -1.93 -13.1 0 7 0 85 392.868 5 ↓

    Analogs

    5778223
    5778223

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 2.86 1.43 -11.32 0 5 0 57 253.261 2 ↓

    Parameters Provided:

    ring.id = 2194
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 = 2194 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=2194&filter.purchasability=annotated

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