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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) 3.26 9.02 -11.55 0 3 0 30 247.338 3 ↓

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    Popular Name: 2-(azocan-1-ylcarbonylmethoxy)benzamide 2-(azocan-1-ylcarbonylmethoxy)be…

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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) 2.58 6.82 -22.94 2 5 0 73 290.363 4 ↓

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    Popular Name: 1-(azocan-1-yl)-2-(2-fluoro-4-nitro-phenoxy)ethanone 1-(azocan-1-yl)-2-(2-fluoro-4-ni…

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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) 3.31 9.8 -17.05 0 6 0 75 310.325 4 ↓

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    Popular Name: 1-(azocan-1-yl)-2-(2-methyl-3-nitro-phenoxy)ethanone 1-(azocan-1-yl)-2-(2-methyl-3-ni…

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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) 3.58 10.39 -16.81 0 6 0 75 306.362 4 ↓

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    Popular Name: 2-[2-(azocan-1-yl)-2-oxo-ethoxy]benzoic 2-[2-(azocan-1-yl)-2-oxo-ethoxy]…

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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) 3.21 10.07 -73.02 0 5 -1 70 290.339 4 ↓

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    Popular Name: 4-[2-(azocan-1-yl)-2-oxo-ethoxy]benzoic 4-[2-(azocan-1-yl)-2-oxo-ethoxy]…

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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) 3.17 9.6 -54 0 5 -1 70 290.339 4 ↓

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    Popular Name: 3-[2-(azocan-1-yl)-2-oxo-ethoxy]benzoic 3-[2-(azocan-1-yl)-2-oxo-ethoxy]…

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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) 3.15 9.59 -62.44 0 5 -1 70 290.339 4 ↓

    Analogs

    6699202
    6699202

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    Popular Name: 1-(azocan-1-yl)-2-(2-ethoxyphenoxy)ethanone 1-(azocan-1-yl)-2-(2-ethoxypheno…

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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) 3.25 9.7 -15.31 0 4 0 39 291.391 5 ↓

    Parameters Provided:

    ring.id = 3764
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 = 3764 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=3764&filter.purchasability=annotated

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