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

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    Popular Name: (5S,7R)-3-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]adamantane-1-carboxamide (5S,7R)-3-chloro-N-[2-(3,4-dieth…

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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) 5.00 10.83 -12.46 1 4 0 48 405.966 8 ↓

    Analogs

    36147588
    36147588

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    Popular Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]adamantane-1-carboxamide N-[(2S)-2-hydroxy-2-(4-nitrophen…

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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) 3.46 6.88 -13.23 2 6 0 95 344.411 5 ↓

    Analogs

    36147586
    36147586

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]adamantane-1-carboxamide N-[(2R)-2-hydroxy-2-(4-nitrophen…

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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) 3.46 6.96 -13.15 2 6 0 95 344.411 5 ↓

    Analogs

    36757040
    36757040

    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) 4.65 9.4 -9.63 1 2 0 29 301.405 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 4.13 10.02 -7.1 1 5 0 65 385.504 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7S)-3-hydroxy-N-phenethyl-adamantane-1-carboxamide (5R,7S)-3-hydroxy-N-phenethyl-ad…

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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) 3.36 5.98 -12.36 2 3 0 49 299.414 4 ↓

    Parameters Provided:

    ring.id = 39979
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 = 39979 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    line: 245