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

    34876139
    34876139

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-methoxybenzyl)-4-oxo-2-sulfanyl-3,4-dihydro-7-quinazolinecarboxylic acid 3-(4-methoxybenzyl)-4-oxo-2-sulf…

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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) 3.03 7.62 -90.45 0 6 -2 90 340.36 4 ↓

    Analogs

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    Popular Name: 3-(2-chlorobenzyl)-2-mercapto-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid 3-(2-chlorobenzyl)-2-mercapto-4-…

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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) 3.88 9.52 -91.71 0 5 -2 75 344.779 3 ↓
    Ref Reference (pH 7) 3.61 8.46 -91.45 0 5 -2 81 344.779 3 ↓
    Mid Mid (pH 6-8) 3.15 9.81 -40.62 1 5 -1 78 345.787 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-prop-2-ynyl-2-thioxo-1H-quinazoline-7-carboxamide 3-[(2-chlorophenyl)methyl]-4-oxo…

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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 7.44 -41.81 1 5 -1 70 382.852 4 ↓
    Lo Low (pH 4.5-6) 2.59 8.86 -11.48 2 5 0 67 383.86 4 ↓

    Analogs

    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) 3.52 8.76 -35.81 0 3 -1 35 285.323 2 ↓
    Ref Reference (pH 7) 3.25 7.82 -35.83 0 3 -1 41 285.323 2 ↓
    Mid Mid (pH 6-8) 2.80 9.07 -9.38 1 3 0 38 286.331 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[4-(methylsulfanyl)benzyl]-2-sulfanyl-4(3H)-quinazolinone 3-[4-(methylsulfanyl)benzyl]-2-s…

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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) 3.52 8.78 -39.32 0 3 -1 41 313.427 3 ↓
    Mid Mid (pH 6-8) 3.07 10.03 -10.59 1 3 0 38 314.435 3 ↓

    Parameters Provided:

    ring.id = 20145
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrcn = adwords
iocnl1 = google_adsense
iosrct = adnet
iocnl3 = legacy

    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 = 20145 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=20145&filter.purchasability=annotated

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