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

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-keto-4-methyl-7-(1-naphthylmethoxy)chromen-3-yl]acetic-acid-methyl-ester 2-[2-keto-4-methyl-7-(1-naphthyl…

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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) 5.15 4.25 -19.83 0 5 0 65 388.419 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-keto-4-methyl-7-[(2-methyl-1-naphthyl)methoxy]chromen-3-yl]acetate 2-[2-keto-4-methyl-7-[(2-methyl-…

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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) 4.93 2.87 -62.5 0 5 -1 79 387.411 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-keto-4,8-dimethyl-7-(1-naphthylmethoxy)chromen-3-yl]propionic-acid-ethyl-ester 3-[2-keto-4,8-dimethyl-7-(1-naph…

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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) 6.11 4.69 -18.11 0 5 0 65 430.5 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-keto-4,8-dimethyl-7-[(2-methyl-1-naphthyl)methoxy]chromen-3-yl]acetate 2-[2-keto-4,8-dimethyl-7-[(2-met…

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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) 5.31 3.33 -62.34 0 5 -1 79 401.438 5 ↓

    Analogs

    26088457
    26088457

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-keto-4-methyl-7-[(2-methyl-1-naphthyl)methoxy]chromen-3-yl]propionic-acid-ethyl-ester 3-[2-keto-4-methyl-7-[(2-methyl-…

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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) 6.13 4.5 -18.61 0 5 0 65 430.5 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-keto-4-methyl-7-(1-naphthylmethoxy)chromen-3-yl]acetate 2-[2-keto-4-methyl-7-(1-naphthyl…

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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) 4.53 2.74 -62.45 0 5 -1 79 373.384 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-keto-4,8-dimethyl-7-(1-naphthylmethoxy)chromen-3-yl]acetate 2-[2-keto-4,8-dimethyl-7-(1-naph…

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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) 4.91 3.13 -62.29 0 5 -1 79 387.411 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-keto-4-methyl-7-(1-naphthylmethoxy)chromen-3-yl]propionic-acid-ethyl-ester 3-[2-keto-4-methyl-7-(1-naphthyl…

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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) 5.73 4.3 -18.54 0 5 0 65 416.473 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[6-chloro-2-keto-4-methyl-7-(1-naphthylmethoxy)chromen-3-yl]acetic-acid-methyl-ester 2-[6-chloro-2-keto-4-methyl-7-(1…

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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) 5.75 4.16 -15.66 0 5 0 66 422.864 6 ↓

    Analogs

    6365606
    6365606

    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) 6.18 3 -11.65 0 3 0 39 364.828 3 ↓

    Parameters Provided:

    ring.id = 232366
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 = 232366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=232366&filter.purchasability=annotated

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