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

    Analogs

    36614645
    36614645

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]pyrrolidin-2-one 1-[4-[(4-methyl-1-piperidyl)sulf…

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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) 1.76 -3.54 -14.93 0 5 0 58 322.43 3 ↓

    Analogs

    23024810
    23024810
    25768018
    25768018
    4898700
    4898700

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxamide 1-[4-(2-oxopyrrolidin-1-yl)pheny…

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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) 0.12 -6.68 -23.38 2 7 0 101 351.428 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 1.25 -2.71 -19.85 0 7 0 84 366.439 5 ↓

    Analogs

    12002000
    12002000
    12002084
    12002084
    12002089
    12002089
    12417730
    12417730
    21632604
    21632604

    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) 2.18 -2.92 -14.41 0 5 0 58 336.457 3 ↓

    Analogs

    12002084
    12002084
    12002089
    12002089
    12417730
    12417730
    21632604
    21632604
    21632616
    21632616

    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) 2.18 -2.89 -14.27 0 5 0 58 336.457 3 ↓

    Analogs

    12002010
    12002010
    12002090
    12002090
    12002093
    12002093
    15885415
    15885415

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]pyrrolidin-2-one 1-[4-[[(3R,5R)-3,5-dimethyl-1-pi…

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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) 2.24 -3.07 -13.99 0 5 0 58 336.457 3 ↓

    Analogs

    12002090
    12002090
    12002093
    12002093
    15885415
    15885415
    12002001
    12002001

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]pyrrolidin-2-one 1-[4-[[(3S,5S)-3,5-dimethyl-1-pi…

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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) 2.24 -3.06 -14.17 0 5 0 58 336.457 3 ↓

    Analogs

    12002028
    12002028

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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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) 1.63 -2.81 -18.2 0 7 0 84 380.466 6 ↓

    Analogs

    12002023
    12002023

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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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) 1.63 -2.82 -16.3 0 7 0 84 380.466 6 ↓

    Analogs

    12002089
    12002089
    12417730
    12417730
    21632604
    21632604
    21632616
    21632616
    36614645
    36614645

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[[(2R)-2-ethyl-1-piperidyl]sulfonyl]phenyl]pyrrolidin-2-one 1-[4-[[(2R)-2-ethyl-1-piperidyl]…

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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) 2.39 -3.1 -14.47 0 5 0 58 336.457 4 ↓

    Analogs

    12417730
    12417730
    21632604
    21632604
    21632616
    21632616
    36614645
    36614645
    12001992
    12001992

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]phenyl]pyrrolidin-2-one 1-[4-[[(2S)-2-ethyl-1-piperidyl]…

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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) 2.39 -3.18 -13.76 0 5 0 58 336.457 4 ↓

    Analogs

    12002093
    12002093
    15885415
    15885415
    12002001
    12002001
    12002010
    12002010

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]phenyl]pyrrolidin-2-one 1-[4-[[(3R)-3-methyl-1-piperidyl…

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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) 1.76 -3.63 -14.27 0 5 0 58 322.43 3 ↓

    Analogs

    15885415
    15885415
    12002001
    12002001
    12002010
    12002010

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]pyrrolidin-2-one 1-[4-[[(3S)-3-methyl-1-piperidyl…

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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) 1.76 -3.62 -14.43 0 5 0 58 322.43 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-N-ethyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide (3R)-N-ethyl-1-[2-methyl-4-(2-ox…

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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) 1.25 4.89 -23.45 1 7 0 87 393.509 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-N-ethyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide (3S)-N-ethyl-1-[2-methyl-4-(2-ox…

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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) 1.25 4.91 -22.39 1 7 0 87 393.509 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carbonitrile 1-[2-methyl-4-(2-oxopyrrolidin-1…

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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) 1.55 6.21 -19.38 0 6 0 81 347.44 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-pyrrolidinecarboxylic acid, 5-oxo-1-[4-(1-piperidinylsulfonyl)phenyl]-, hydrazide 3-pyrrolidinecarboxylic acid, 5-…

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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) -0.72 2.33 -19.38 3 8 0 113 366.443 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-pyrrolidinecarboxylic acid, 5-oxo-1-[4-(1-piperidinylsulfonyl)phenyl]-, hydrazide 3-pyrrolidinecarboxylic acid, 5-…

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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) -0.72 2.36 -21.91 3 8 0 113 366.443 4 ↓

    Parameters Provided:

    ring.id = 66620
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 = 66620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=66620&filter.purchasability=annotated

    Embed Link to Results

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