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

    Analogs

    11813852
    11813852

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-2-yl]-N-(3-methoxypropyl)acetamide 2-[(2R)-1-(cyclohexylmethyl)-3-o…

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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) 2.44 -3.38 -42.39 3 6 1 72 326.461 8 ↓

    Analogs

    11813851
    11813851

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2S)-1-(cyclohexylmethyl)-3-oxo-piperazin-2-yl]-N-(3-methoxypropyl)acetamide 2-[(2S)-1-(cyclohexylmethyl)-3-o…

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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) 2.44 -3.81 -40.84 3 6 1 72 326.461 8 ↓

    Analogs

    12004470
    12004470

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2S)-1-(cyclohexylmethyl)-3-oxo-piperazin-2-yl]-N-(2-hydroxyethyl)-N-isopropyl-acetamide 2-[(2S)-1-(cyclohexylmethyl)-3-o…

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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) 2.47 -2.63 -39.59 3 6 1 74 340.488 7 ↓

    Analogs

    12004465
    12004465

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-2-yl]-N-(2-hydroxyethyl)-N-isopropyl-acetamide 2-[(2R)-1-(cyclohexylmethyl)-3-o…

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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) 2.47 -3.29 -47.89 3 6 1 74 340.488 7 ↓

    Analogs

    12029806
    12029806
    12459451
    12459451
    12459453
    12459453

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2S)-1-(cyclohexylmethyl)-3-oxo-piperazin-2-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide 2-[(2S)-1-(cyclohexylmethyl)-3-o…

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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) 4.00 0.28 -40.25 2 5 1 54 336.5 7 ↓

    Analogs

    12459451
    12459451
    12459453
    12459453
    12029803
    12029803

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-2-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide 2-[(2R)-1-(cyclohexylmethyl)-3-o…

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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) 4.00 0.27 -41.01 2 5 1 54 336.5 7 ↓

    Analogs

    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) 1.79 5.81 -8.82 1 5 0 59 282.384 6 ↓

    Analogs

    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) 1.79 5.5 -9.37 1 5 0 59 282.384 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-4-[(4-aminocyclohexyl)methyl]-3-butyl-1-methyl-piperazin-2-one (3R)-4-[(4-aminocyclohexyl)methy…

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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) 1.66 6.41 -111.21 4 4 2 52 283.46 5 ↓
    Mid Mid (pH 6-8) 1.66 4.75 -51.59 3 4 1 51 282.452 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-4-[(4-aminocyclohexyl)methyl]-3-butyl-1-methyl-piperazin-2-one (3S)-4-[(4-aminocyclohexyl)methy…

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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) 1.66 6.18 -104.31 4 4 2 52 283.46 5 ↓
    Mid Mid (pH 6-8) 1.66 5.11 -50.27 3 4 1 51 282.452 5 ↓

    Parameters Provided:

    ring.id = 46928
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 = 46928 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=46928&filter.purchasability=annotated

    Embed Link to Results

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