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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: [(Z)-[(1S,4S)-1,7,7-trimethylnorbornan-2-ylidene]amino] [(Z)-[(1S,4S)-1,7,7-trimethylnor…

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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) 4.33 9.5 -11.64 0 6 0 66 361.438 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(Z)-[(1R,4R)-1,7,7-trimethylnorbornan-2-ylidene]amino] [(Z)-[(1R,4R)-1,7,7-trimethylnor…

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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) 4.33 9.5 -11.67 0 6 0 66 361.438 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(E)-[(1S,4R)-1,3,3-trimethylnorbornan-2-ylidene]amino] [(E)-[(1S,4R)-1,3,3-trimethylnor…

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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) 4.33 9.69 -12.18 0 6 0 66 361.438 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(E)-[(1R,4S)-1,3,3-trimethylnorbornan-2-ylidene]amino] [(E)-[(1R,4S)-1,3,3-trimethylnor…

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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) 4.33 9.69 -12.14 0 6 0 66 361.438 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [[(1S,4S)-1,7,7-trimethylnorbornan-2-ylidene]amino] [[(1S,4S)-1,7,7-trimethylnorborn…

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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) 4.76 11.21 -10.37 0 3 0 39 285.387 3 ↓

    Analogs

    34928799
    34928799
    34928801
    34928801
    34928804
    34928804
    34928806
    34928806
    96370
    96370

    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) 5.64 11.28 -9.05 0 3 0 39 340.25 3 ↓
    Ref Reference (pH 7) 5.64 11.51 -9.34 0 3 0 39 340.25 3 ↓

    Parameters Provided:

    ring.id = 11162
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 = 11162 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=11162&filter.purchasability=annotated

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