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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(4-aminophenyl)piperazin-1-yl]-cyclopentyl-methanone [4-(4-aminophenyl)piperazin-1-yl…

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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) 2.11 6.16 -8.86 2 4 0 50 273.38 2 ↓

    Analogs

    37864576
    37864576

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(3-aminophenyl)piperazin-1-yl]-cyclopentyl-methanone [4-(3-aminophenyl)piperazin-1-yl…

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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) 2.09 6.09 -9.11 2 4 0 50 273.38 2 ↓

    Analogs

    37864577
    37864577

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(2-aminophenyl)piperazin-1-yl]-cyclopentyl-methanone [4-(2-aminophenyl)piperazin-1-yl…

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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) 2.47 7.1 -7.37 2 4 0 50 273.38 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N,N-diethyl-5-(ethylcarbamoylamino)benzamide 2-[4-(cyclopentanecarbonyl)piper…

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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) 2.57 9.23 -17.86 2 8 0 85 443.592 7 ↓

    Analogs

    23558325
    23558325

    Draw Identity 99% 90% 80% 70%

    Popular Name: cyclopentyl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-methanone cyclopentyl-[4-[2-nitro-4-(trifl…

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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) 3.82 2.73 -12.28 0 6 0 69 371.359 4 ↓

    Analogs

    34929531
    34929531
    4356111
    4356111

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    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) 3.44 8.46 -7.23 0 3 0 24 272.392 2 ↓

    Parameters Provided:

    ring.id = 15768
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 = 15768 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=15768&filter.purchasability=annotated

    Embed Link to Results

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