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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: 2-[(E)-3-chloroprop-2-enyl]sulfanyl-3-cyclopropyl-quinazolin-4-one 2-[(E)-3-chloroprop-2-enyl]sulfa…

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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) 3.12 9.17 -9.14 0 3 0 35 292.791 4 ↓

    Analogs

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    Popular Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide 2-(3-cyclopropyl-4-oxo-quinazoli…

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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) 2.61 8.87 -14.61 0 5 0 55 371.384 6 ↓

    Analogs

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    Popular Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,3-dimethylbutyl)acetamide 2-(3-cyclopropyl-4-oxo-quinazoli…

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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) 3.42 8.8 -12.41 1 5 0 64 359.495 7 ↓

    Analogs

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    Popular Name: 3-cyclopropyl-2-(2-methylsulfonylethylsulfanyl)quinazolin-4-one 3-cyclopropyl-2-(2-methylsulfony…

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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) 1.74 5.57 -20.95 0 5 0 69 324.427 5 ↓

    Analogs

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    Popular Name: 3-cyclopropyl-2-isobutylsulfanyl-quinazolin-4-one 3-cyclopropyl-2-isobutylsulfanyl…

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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) 3.46 9.36 -8.74 0 3 0 35 274.389 4 ↓

    Analogs

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    Popular Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N,N-dipropyl-acetamide 2-(3-cyclopropyl-4-oxo-quinazoli…

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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) 3.44 10.96 -12.09 0 5 0 55 359.495 8 ↓

    Analogs

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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) 1.07 -3.18 -13.27 2 5 0 77 275.333 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetonitrile 2-[(3-cyclopropyl-4-keto-quinazo…

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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) 2.12 1.05 -11.49 0 4 0 58 257.318 3 ↓

    Analogs

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    Popular Name: 5-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylpentanamide 5-(3-cyclopropyl-4-oxo-quinazoli…

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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) 2.11 6.42 -16.49 2 5 0 78 317.414 7 ↓

    Parameters Provided:

    ring.id = 11314
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 = 11314 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=11314&filter.purchasability=annotated

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