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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: 3-(4-chlorophenyl)-6-ethyl-5,9-dimethyl-furo[3,2-g]chromen-7-one 3-(4-chlorophenyl)-6-ethyl-5,9-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) 6.29 4.24 -11.62 0 3 0 43 352.817 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[7-keto-3-(4-methoxyphenyl)-5-methyl-furo[3,2-g]chromen-6-yl]acetate 2-[7-keto-3-(4-methoxyphenyl)-5-…

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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) 3.80 11.08 -58.66 0 6 -1 93 363.345 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetic acid [3-(4-fluorophenyl)-5-methyl-7-o…

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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) 3.91 11.84 -57.89 0 5 -1 83 351.309 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[7-keto-3-(4-methoxyphenyl)-5,9-dimethyl-furo[3,2-g]chromen-6-yl]acetate 2-[7-keto-3-(4-methoxyphenyl)-5,…

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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) 4.18 11.71 -59.05 0 6 -1 93 377.372 4 ↓

    Analogs

    11691917
    11691917

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-hexyl-3-(3-methoxyphenyl)-5,9-dimethyl-furo[3,2-g]chromen-7-one 6-hexyl-3-(3-methoxyphenyl)-5,9-…

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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) 7.60 4.9 -12.45 0 4 0 52 404.506 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-bromophenyl)-5,9-dimethyl-furo[3,2-g]chromen-7-one 3-(4-bromophenyl)-5,9-dimethyl-f…

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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) 5.58 3.18 -11.2 0 3 0 43 369.214 1 ↓

    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) 6.22 4.37 -10.94 0 4 0 52 362.425 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-bromophenyl)-6-isopropyl-5-methyl-furo[3,2-g]chromen-7-one 3-(4-bromophenyl)-6-isopropyl-5-…

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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) 6.17 3.6 -11.05 0 3 0 43 397.268 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[3-(4-bromophenyl)-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl]propionate 3-[3-(4-bromophenyl)-7-keto-5,9-…

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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) 5.45 13.8 -55.23 0 5 -1 83 440.269 4 ↓

    Parameters Provided:

    ring.id = 232031
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 = 232031 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=232031&filter.purchasability=annotated

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