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

    Analogs

    25054190
    25054190
    25054197
    25054197

    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) 2.12 1.88 -15.62 0 6 0 66 376.428 6 ↓

    Analogs

    25054190
    25054190
    25054197
    25054197

    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) 2.12 9.73 -17.71 0 6 0 67 376.428 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one (4R)-1-[2-(3,4-dimethoxyphenyl)e…

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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) 2.59 9.31 -15.12 0 6 0 59 388.508 6 ↓

    Analogs

    35871079
    35871079
    35871081
    35871081

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one (4R)-1-[2-(3,4-dimethoxyphenyl)e…

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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) 2.59 9.35 -15.31 0 6 0 59 388.508 6 ↓

    Analogs

    20718444
    20718444
    20718449
    20718449
    35871079
    35871079

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one (4R)-1-[2-(3,4-dimethoxyphenyl)e…

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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) 2.59 9.56 -14.98 0 6 0 59 388.508 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3S)-5-oxo-1-phenethyl-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) 1.34 8.67 -47.61 0 6 -1 81 343.403 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3S)-5-oxo-1-phenethyl-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) 1.34 8.52 -56.36 0 6 -1 81 343.403 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3R)-5-oxo-1-phenethyl-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) 1.34 8.52 -56.35 0 6 -1 81 343.403 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3R)-5-oxo-1-phenethyl-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) 1.34 8.64 -47.81 0 6 -1 81 343.403 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]piperidine-4-carboxylic 1-[(3S)-5-oxo-1-phenethyl-pyrrol…

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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) 1.34 8.56 -52.76 0 6 -1 81 343.403 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]piperidine-4-carboxylic 1-[(3R)-5-oxo-1-phenethyl-pyrrol…

    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) 1.34 8.58 -54.95 0 6 -1 81 343.403 5 ↓

    Parameters Provided:

    ring.id = 4141
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 = 4141 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=4141&filter.purchasability=annotated

    Embed Link to Results

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