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

    Analogs

    2796624
    2796624
    19645661
    19645661
    19645664
    19645664

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S)-4-(5-bromo-2-fluoro-phenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-4H-quinolin-5 (4S)-4-(5-bromo-2-fluoro-phenyl)…

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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) 4.95 12.06 -20.61 1 4 0 49 475.402 2 ↓

    Analogs

    19645661
    19645661
    19645664
    19645664
    2796623
    2796623

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-4-(5-bromo-2-fluoro-phenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-4H-quinolin-5 (4R)-4-(5-bromo-2-fluoro-phenyl)…

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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) 4.95 12.14 -21.84 1 4 0 49 475.402 2 ↓

    Analogs

    2796718
    2796718
    2801374
    2801374
    2801375
    2801375

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S)-2-methyl-4-(3-nitrophenyl)-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one (4S)-2-methyl-4-(3-nitrophenyl)-…

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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) 3.81 11.18 -37.58 1 7 0 95 395.459 3 ↓

    Analogs

    2801374
    2801374
    2801375
    2801375
    2796717
    2796717

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-2-methyl-4-(3-nitrophenyl)-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one (4R)-2-methyl-4-(3-nitrophenyl)-…

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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) 3.81 11.18 -30.81 1 7 0 95 395.459 3 ↓

    Analogs

    2796779
    2796779
    3073719
    3073719
    4066717
    4066717
    4066718
    4066718
    4066720
    4066720

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-4-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinolin (4S)-2,7,7-trimethyl-3-(piperidi…

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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) 5.42 12.43 -18.45 1 4 0 49 446.513 3 ↓

    Analogs

    2796778
    2796778

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-4-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinolin (4R)-2,7,7-trimethyl-3-(piperidi…

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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) 5.42 12.49 -19.59 1 4 0 49 446.513 3 ↓

    Analogs

    2796910
    2796910

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-1,4,6,8-tetrahydroquin (4S)-2,7,7-trimethyl-3-(piperidi…

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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) 5.49 11.18 -19.95 1 5 0 59 462.512 4 ↓

    Analogs

    3073721
    3073721
    3073722
    3073722
    20028850
    20028850
    20028851
    20028851
    2796909
    2796909

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-1,4,6,8-tetrahydroquin (4R)-2,7,7-trimethyl-3-(piperidi…

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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) 5.49 11.17 -21.17 1 5 0 59 462.512 4 ↓

    Analogs

    2796945
    2796945

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one (4S)-4-(3-bromophenyl)-2,7,7-tri…

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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) 5.31 12.03 -23.19 1 4 0 49 457.412 2 ↓

    Analogs

    2796944
    2796944

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-4-(3-bromophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one (4R)-4-(3-bromophenyl)-2,7,7-tri…

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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) 5.31 11.97 -20.44 1 4 0 49 457.412 2 ↓

    Analogs

    2796717
    2796717

    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) 4.46 12.06 -28.65 1 7 0 95 423.513 3 ↓

    Analogs

    2796717
    2796717

    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) 4.46 12.07 -30.28 1 7 0 95 423.513 3 ↓

    Parameters Provided:

    ring.id = 239907
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 = 239907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=239907&filter.purchasability=annotated

    Embed Link to Results

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