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

    Analogs

    4550810
    4550810

    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) 1.99 -1.6 -15.83 1 4 0 49 266.385 2 ↓

    Analogs

    6729598
    6729598
    12381237
    12381237
    39404077
    39404077
    40456029
    40456029

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    Popular Name: N-cycloheptyl-1-isobutyl-piperidine-4-carboxamide N-cycloheptyl-1-isobutyl-piperid…

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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) 3.75 -0.01 -39.81 2 3 1 33 281.464 4 ↓

    Analogs

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    Popular Name: N-cycloheptyl-4-methyl-piperidine-4-carboxamide N-cycloheptyl-4-methyl-piperidin…

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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) 2.61 4.95 -39.32 3 3 1 46 239.383 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-N,4-dimethyl-piperidine-4-carboxamide N-cycloheptyl-N,4-dimethyl-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) 2.53 6.14 -40.73 2 3 1 37 253.41 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(4-methylpiperidine-4-carbonyl)amino]cycloheptanecarboxylic 1-[(4-methylpiperidine-4-carbony…

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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) -0.05 6.64 -60.44 3 5 0 86 282.384 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-4-ethyl-piperidine-4-carboxamide N-cycloheptyl-4-ethyl-piperidine…

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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) 2.94 5.38 -40.86 3 3 1 46 253.41 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-4-propyl-piperidine-4-carboxamide N-cycloheptyl-4-propyl-piperidin…

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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) 3.50 6.14 -41.03 3 3 1 46 267.437 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-4-ethyl-N-methyl-piperidine-4-carboxamide N-cycloheptyl-4-ethyl-N-methyl-p…

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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) 2.86 6.82 -41.91 2 3 1 37 267.437 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-N-methyl-4-propyl-piperidine-4-carboxamide N-cycloheptyl-N-methyl-4-propyl-…

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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) 3.42 7.58 -42.12 2 3 1 37 281.464 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(4-ethylpiperidine-4-carbonyl)amino]cycloheptanecarboxylic 1-[(4-ethylpiperidine-4-carbonyl…

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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) 0.28 7.03 -57.89 3 5 0 86 296.411 4 ↓

    Parameters Provided:

    ring.id = 4269
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 = 4269 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=4269&filter.purchasability=annotated

    Embed Link to Results

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