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

    Analogs

    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) 2.76 6.2 -17.58 3 8 0 104 383.433 6 ↓
    Ref Reference (pH 7) 2.76 5.89 -21.87 3 8 0 104 383.433 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4Z)-4-[(4-methoxyphenyl)hydrazono]-3-phenyl-1H-pyrazol-5-one (4Z)-4-[(4-methoxyphenyl)hydrazo…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    GSK3B-1-E Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic Eukaryotes 20 0.49 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 20 0.49 Binding ≤ 1μM
    GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 20 0.49 Binding ≤ 10μM

    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) 2.89 4.86 -7.99 2 6 0 79 294.314 4 ↓
    Hi High (pH 8-9.5) 3.34 3.26 -51.33 1 6 -1 82 293.306 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4Z)-4-[(3-chlorophenyl)hydrazono]-3-(4-methoxyphenyl)-1H-pyrazol-5-one (4Z)-4-[(3-chlorophenyl)hydrazon…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    GSK3B-1-E Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic Eukaryotes 2 0.53 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 1.9 0.53 Binding ≤ 1μM
    GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 1.9 0.53 Binding ≤ 10μM

    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) 3.54 5.38 -7.6 2 6 0 79 328.759 4 ↓
    Hi High (pH 8-9.5) 4.00 3.84 -48.17 1 6 -1 82 327.751 4 ↓

    Parameters Provided:

    ring.id = 42582
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 = 42582 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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