• Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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) 3.87 1.2 -6.7 0 2 0 20 223.36 1 ↓

    Analogs

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    Popular Name: [(1R,2S)-2-aminocyclohexyl]-(azocan-1-yl)methanone [(1R,2S)-2-aminocyclohexyl]-(azo…

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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) 2.23 5.8 -41.5 3 3 1 48 239.383 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1S,2S)-2-aminocyclohexyl]-(azocan-1-yl)methanone [(1S,2S)-2-aminocyclohexyl]-(azo…

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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) 2.23 5.81 -35.51 3 3 1 48 239.383 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1R,2R)-2-aminocyclohexyl]-(azocan-1-yl)methanone [(1R,2R)-2-aminocyclohexyl]-(azo…

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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) 2.23 5.6 -39.71 3 3 1 48 239.383 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1S,2R)-2-aminocyclohexyl]-(azocan-1-yl)methanone [(1S,2R)-2-aminocyclohexyl]-(azo…

    Find On: PubMed — Wikipedia — Google

    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) 2.23 5.69 -38.24 3 3 1 48 239.383 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1R,3S)-3-aminocyclohexyl]-(azocan-1-yl)methanone [(1R,3S)-3-aminocyclohexyl]-(azo…

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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) 1.99 5.52 -46.08 3 3 1 48 239.383 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1S,3S)-3-aminocyclohexyl]-(azocan-1-yl)methanone [(1S,3S)-3-aminocyclohexyl]-(azo…

    Find On: PubMed — Wikipedia — Google

    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) 1.99 5.44 -38.55 3 3 1 48 239.383 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1R,3R)-3-aminocyclohexyl]-(azocan-1-yl)methanone [(1R,3R)-3-aminocyclohexyl]-(azo…

    Find On: PubMed — Wikipedia — Google

    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) 1.99 5.44 -38.35 3 3 1 48 239.383 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1S,3R)-3-aminocyclohexyl]-(azocan-1-yl)methanone [(1S,3R)-3-aminocyclohexyl]-(azo…

    Find On: PubMed — Wikipedia — Google

    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) 1.99 5.63 -44.71 3 3 1 48 239.383 1 ↓

    Parameters Provided:

    ring.id = 3966
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 = 3966 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=3966&filter.purchasability=annotated

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  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245