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

    Analogs

    12930417
    12930417
    36746332
    36746332

    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) 2.40 1.58 -30.44 0 10 0 132 412.402 6 ↓

    Analogs

    19406883
    19406883
    20418447
    20418447
    20595105
    20595105
    37038233
    37038233
    37038430
    37038430

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1,4-bis[(2-methylphenyl)acetyl]- piperazine, 1,4-bis[(2-methylphe…

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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) 3.29 11.08 -17.65 0 4 0 41 350.462 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-phenyl-ethanone (2R)-2-methoxy-1-[4-[2-(3-methox…

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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) 2.28 9.18 -17.28 0 6 0 59 382.46 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1,4-bis[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]- piperazine, 1,4-bis[2-[4-(2-meth…

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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) 6.68 16.2 -15.54 0 4 0 41 462.678 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1,4-bis[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]- piperazine, 1,4-bis[2-[4-(2-meth…

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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) 6.68 16.07 -15.23 0 4 0 41 462.678 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1,4-bis[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]- piperazine, 1,4-bis[2-[4-(2-meth…

    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) 6.68 16.18 -11.25 0 4 0 41 462.678 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenyl-propan-1-one 1-[4-[2-(4-methoxyphenyl)acetyl]…

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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) 3.51 9.83 -13.69 0 5 0 50 380.488 5 ↓

    Parameters Provided:

    ring.id = 161424
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 = 161424 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=161424&filter.purchasability=annotated

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