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

    17070843
    17070843
    17070844
    17070844

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 2.27 7.74 -53.83 1 5 -1 78 336.314 5 ↓
    Lo Low (pH 4.5-6) 2.27 5.79 -18.74 2 5 0 76 337.322 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,4R,7R,8S)-7-[(3,4-dimethoxyphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-8-carboxylic (1S,4R,7R,8S)-7-[(3,4-dimethoxyp…

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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) 1.30 7.37 -53.31 1 6 -1 88 330.36 5 ↓
    Lo Low (pH 4.5-6) 1.30 5.4 -17.42 2 6 0 85 331.368 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,4R,7S,8S)-7-[(3,4-dimethoxyphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-8-carboxylic (1S,4R,7S,8S)-7-[(3,4-dimethoxyp…

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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) 1.30 7.1 -42.83 1 6 -1 88 330.36 5 ↓
    Lo Low (pH 4.5-6) 1.30 5.1 -12.1 2 6 0 85 331.368 5 ↓

    Analogs

    17056756
    17056756

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,4R,7R,8S)-7-[(4-chloro-2-fluoro-phenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-8-carboxylic (1S,4R,7R,8S)-7-[(4-chloro-2-flu…

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    Activity (Go SEA)

    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) 2.43 8.81 -49.11 1 4 -1 69 322.743 3 ↓
    Lo Low (pH 4.5-6) 2.43 6.82 -11.2 2 4 0 66 323.751 3 ↓

    Parameters Provided:

    ring.id = 44299
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 = 44299 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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