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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    16603331
    16603331
    16604961
    16604961
    33019507
    33019507
    34960100
    34960100
    43963156
    43963156

    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) 2.50 7.09 -39.66 2 3 1 34 239.383 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 1.29 4.63 -10.77 1 6 0 82 279.34 3 ↓

    Analogs

    36135351
    36135351
    37267538
    37267538
    37005015
    37005015
    37041690
    37041690

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-amino-N-(2-hydroxyethyl)-N-(1-methyl-4-piperidyl)cyclopentanecarboxamide 1-amino-N-(2-hydroxyethyl)-N-(1-…

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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) 0.33 3.05 -93.73 5 5 2 73 271.405 4 ↓
    Mid Mid (pH 6-8) 0.33 2.93 -44.39 4 5 1 71 270.397 4 ↓

    Analogs

    37023778
    37023778
    37023780
    37023780
    14949830
    14949830

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-amino-N-(2-dimethylaminoethyl)-N-(1-methyl-4-piperidyl)cyclopentanecarboxamide 1-amino-N-(2-dimethylaminoethyl)…

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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) 0.99 6.59 -190.32 5 5 3 57 299.483 5 ↓
    Mid Mid (pH 6-8) 0.99 7.15 -94.37 4 5 2 55 298.475 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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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) 1.89 5.58 -10.52 1 6 0 82 293.367 4 ↓

    Parameters Provided:

    ring.id = 164183
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 = 164183 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=164183&filter.purchasability=annotated

    Embed Link to Results

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