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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: (2S)-2-(5-chloro-3-isopropyl-1-methyl-pyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(5-chloro-3-isopropyl-1-m…

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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) 2.83 5.92 -12.4 2 5 0 59 304.781 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-3-allyl-2-(3-isopropyl-1-methyl-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one (2R)-3-allyl-2-(3-isopropyl-1-me…

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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) 2.44 7.9 -11.09 1 5 0 50 310.401 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-3-allyl-2-(3-isopropyl-1-methyl-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one (2S)-3-allyl-2-(3-isopropyl-1-me…

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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) 2.44 8.54 -12.91 1 5 0 50 310.401 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-3-allyl-2-(5-chloro-3-isopropyl-1-methyl-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one (2R)-3-allyl-2-(5-chloro-3-isopr…

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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) 3.25 7.77 -11.19 1 5 0 50 344.846 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-3-allyl-2-(5-chloro-3-isopropyl-1-methyl-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one (2S)-3-allyl-2-(5-chloro-3-isopr…

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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) 3.25 8.85 -11.88 1 5 0 50 344.846 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-7-chloro-2-(5-chloro-3-isopropyl-1-methyl-pyrazol-4-yl)-3-methyl-1,2-dihydroquinazolin-4-one (2R)-7-chloro-2-(5-chloro-3-isop…

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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) 3.26 7.51 -10.6 1 5 0 50 353.253 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-7-chloro-2-(5-chloro-3-isopropyl-1-methyl-pyrazol-4-yl)-3-methyl-1,2-dihydroquinazolin-4-one (2S)-7-chloro-2-(5-chloro-3-isop…

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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) 3.26 7.88 -10.58 1 5 0 50 353.253 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(1-tert-butylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (2R)-2-(1-tert-butylpyrazol-4-yl…

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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) 1.93 4.76 -12.36 2 5 0 59 270.336 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(1-tert-butylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(1-tert-butylpyrazol-4-yl…

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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) 1.93 4.76 -12.4 2 5 0 59 270.336 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(1-tert-butylpyrazol-4-yl)-3-isobutyl-1,2-dihydroquinazolin-4-one (2R)-2-(1-tert-butylpyrazol-4-yl…

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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) 2.83 8.82 -14.18 1 5 0 50 326.444 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(1-tert-butylpyrazol-4-yl)-3-isobutyl-1,2-dihydroquinazolin-4-one (2S)-2-(1-tert-butylpyrazol-4-yl…

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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) 2.83 9.03 -13.73 1 5 0 50 326.444 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(3-tert-butyl-1H-pyrazol-4-yl)-6-chloro-3-methyl-1,2-dihydroquinazolin-4-one (2R)-2-(3-tert-butyl-1H-pyrazol-…

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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) 3.05 5.97 -10.85 2 5 0 61 318.808 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(3-tert-butyl-1H-pyrazol-4-yl)-6-chloro-3-methyl-1,2-dihydroquinazolin-4-one (2S)-2-(3-tert-butyl-1H-pyrazol-…

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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) 3.05 5.99 -10.62 2 5 0 61 318.808 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(3-tert-butyl-1H-pyrazol-4-yl)-7-chloro-3-methyl-1,2-dihydroquinazolin-4-one (2R)-2-(3-tert-butyl-1H-pyrazol-…

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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) 3.05 5.98 -9.31 2 5 0 61 318.808 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(3-tert-butyl-1H-pyrazol-4-yl)-7-chloro-3-methyl-1,2-dihydroquinazolin-4-one (2S)-2-(3-tert-butyl-1H-pyrazol-…

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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) 3.05 6 -9.07 2 5 0 61 318.808 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[1-(2-hydroxyethyl)-3,5-dimethyl-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2R)-2-[1-(2-hydroxyethyl)-3,5-d…

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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) 0.56 2.3 -14.58 3 6 0 79 286.335 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[1-(2-hydroxyethyl)-3,5-dimethyl-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2S)-2-[1-(2-hydroxyethyl)-3,5-d…

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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) 0.56 2.25 -14.3 3 6 0 79 286.335 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-3-allyl-2-[1-(2-hydroxyethyl)-3,5-dimethyl-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2R)-3-allyl-2-[1-(2-hydroxyethy…

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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) 0.98 3.98 -15.02 2 6 0 70 326.4 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-3-allyl-2-[1-(2-hydroxyethyl)-3,5-dimethyl-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2S)-3-allyl-2-[1-(2-hydroxyethy…

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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) 0.98 4.58 -11.67 2 6 0 70 326.4 5 ↓

    Analogs

    2788545
    2788545

    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) 0.97 3.77 -15.15 2 5 0 59 242.282 1 ↓

    Analogs

    2788544
    2788544

    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) 0.97 3.96 -15.01 2 5 0 59 242.282 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(1-tert-butylpyrazol-4-yl)-6-chloro-3-ethyl-1,2-dihydroquinazolin-4-one (2R)-2-(1-tert-butylpyrazol-4-yl…

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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) 2.74 8.24 -15.23 1 5 0 50 332.835 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(1-tert-butylpyrazol-4-yl)-6-chloro-3-ethyl-1,2-dihydroquinazolin-4-one (2S)-2-(1-tert-butylpyrazol-4-yl…

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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) 2.74 8.26 -12.7 1 5 0 50 332.835 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(1-tert-butylpyrazol-4-yl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(1-tert-butylpyrazol-4-yl…

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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) 2.59 5.27 -12.87 2 5 0 59 304.781 2 ↓

    Parameters Provided:

    ring.id = 123677
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 = 123677 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=123677&filter.purchasability=annotated

    Embed Link to Results

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