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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S,4aS)-4-(3-fluorophenyl)-2-methyl-N-(o-tolyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamid (4S,4aS)-4-(3-fluorophenyl)-2-me…

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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) 4.96 11.34 -26.82 2 4 0 58 390.458 3 ↓
    Mid Mid (pH 6-8) 5.09 10.11 -11.19 1 4 0 59 390.458 3 ↓
    Mid Mid (pH 6-8) 4.91 10.92 -12.55 1 4 0 59 390.458 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,4S)-4-(4-methoxyphenyl)-2-methyl-N-(o-tolyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (3S,4S)-4-(4-methoxyphenyl)-2-me…

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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) 4.87 10.53 -21.15 2 5 0 67 402.494 4 ↓
    Mid Mid (pH 6-8) 4.99 11.41 -37.28 1 5 0 68 402.494 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,4R)-4-(4-methoxyphenyl)-2-methyl-N-(o-tolyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (3S,4R)-4-(4-methoxyphenyl)-2-me…

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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) 4.87 10.57 -23.51 2 5 0 67 402.494 4 ↓
    Mid Mid (pH 6-8) 4.99 10.8 -29.75 1 5 0 68 402.494 4 ↓

    Analogs

    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) 4.37 10.83 -17.94 2 7 0 104 403.438 4 ↓

    Analogs

    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) 4.37 10.88 -18.06 2 7 0 104 403.438 4 ↓

    Analogs

    4993296
    4993296
    4993395
    4993395
    18125449
    18125449

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-hydroxy-4-(4-hydroxyphenyl)-2,7,7-trimethyl-N-(o-tolyl)-6,8-dihydro-4H-quinoline-3-carboxamide 5-hydroxy-4-(4-hydroxyphenyl)-2,…

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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) 4.99 9.33 -24.48 3 5 0 78 416.521 3 ↓
    Mid Mid (pH 6-8) 5.11 -2.82 -10.75 2 5 0 78 416.521 3 ↓
    Mid Mid (pH 6-8) 4.95 -2.74 -11.37 2 5 0 78 416.521 3 ↓

    Analogs

    6444400
    6444400
    18096101
    18096101
    18155235
    18155235

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[2,3-bis(methyloxy)phenyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 4-[2,3-bis(methyloxy)phenyl]-2-m…

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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) 4.16 10.56 -27.34 2 6 0 77 432.52 5 ↓
    Mid Mid (pH 6-8) 4.28 -1.77 -18.12 1 6 0 77 432.52 5 ↓
    Mid Mid (pH 6-8) 4.12 -1.75 -21.2 1 6 0 77 432.52 5 ↓

    Analogs

    6015308
    6015308
    6137170
    6137170
    650530
    650530

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 4-(3-fluorophenyl)-N-(2-methoxyp…

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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) 4.56 10.15 -19.24 2 5 0 67 406.457 4 ↓
    Mid Mid (pH 6-8) 4.70 -1.26 -14.2 1 5 0 67 406.457 4 ↓

    Analogs

    4168173
    4168173
    8779956
    8779956
    8779957
    8779957

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-ethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 4-(2-ethoxyphenyl)-2-methyl-N-(2…

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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) 4.73 11.89 -17.57 2 5 0 67 416.521 5 ↓

    Analogs

    8779956
    8779956
    8779957
    8779957
    4168171
    4168171

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-ethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 4-(2-ethoxyphenyl)-2-methyl-N-(2…

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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) 4.73 11.78 -16.6 2 5 0 67 416.521 5 ↓

    Analogs

    5095220
    5095220
    5095221
    5095221
    10013615
    10013615
    10013616
    10013616
    10013617
    10013617

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-fluorophenyl)-5-hydroxy-2-methyl-4-(o-tolyl)-4,6,7,8-tetrahydroquinoline-3-carboxamide N-(4-fluorophenyl)-5-hydroxy-2-m…

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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) 4.51 11.19 -12.59 2 4 0 58 390.458 3 ↓

    Analogs

    4168307
    4168307
    876506
    876506
    876513
    876513

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,7,7-trimethyl-N,4-bis(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 2,7,7-trimethyl-N,4-bis(2-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) 5.40 12.78 -13.71 2 4 0 58 414.549 3 ↓
    Mid Mid (pH 6-8) 5.51 -2.4 -12.9 1 4 0 58 414.549 3 ↓

    Analogs

    4168306
    4168306
    876506
    876506

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,7,7-trimethyl-N,4-bis(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 2,7,7-trimethyl-N,4-bis(2-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) 5.40 12.81 -20.83 2 4 0 58 414.549 3 ↓

    Analogs

    6444464
    6444464
    18067609
    18067609
    18163933
    18163933

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[2,4-bis(methyloxy)phenyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 4-[2,4-bis(methyloxy)phenyl]-2-m…

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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) 4.38 9.94 -25.05 2 6 0 77 432.52 5 ↓
    Mid Mid (pH 6-8) 4.50 -1.92 -18.34 1 6 0 77 432.52 5 ↓
    Mid Mid (pH 6-8) 4.34 -1.93 -20.67 1 6 0 77 432.52 5 ↓

    Analogs

    4993248
    4993248
    4993250
    4993250
    6444433
    6444433
    9599409
    9599409
    18066529
    18066529

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[4-hydroxy-3-(methyloxy)phenyl]-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 4-[4-hydroxy-3-(methyloxy)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) 4.81 9.29 -22.28 3 6 0 88 446.547 4 ↓
    Mid Mid (pH 6-8) 4.92 -2.83 -12.18 2 6 0 87 446.547 4 ↓
    Mid Mid (pH 6-8) 4.76 -2.62 -13.19 2 6 0 87 446.547 4 ↓

    Analogs

    4168465
    4168465
    6444466
    6444466
    25781989
    25781989
    891119
    891119

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 4-(3-bromophenyl)-2-methyl-N-(2-…

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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) 5.60 11.85 -22.49 2 4 0 58 451.364 3 ↓
    Mid Mid (pH 6-8) 5.72 -2.6 -16.75 1 4 0 58 451.364 3 ↓
    Mid Mid (pH 6-8) 5.56 -2.59 -18.53 1 4 0 58 451.364 3 ↓

    Analogs

    6444466
    6444466
    25781989
    25781989
    4168464
    4168464
    891119
    891119

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 4-(3-bromophenyl)-2-methyl-N-(2-…

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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) 5.60 11.89 -25.03 2 4 0 58 451.364 3 ↓
    Mid Mid (pH 6-8) 5.72 -2.74 -10.74 1 4 0 58 451.364 3 ↓
    Mid Mid (pH 6-8) 5.56 -2.55 -10.48 1 4 0 58 451.364 3 ↓

    Analogs

    4168572
    4168572
    878335
    878335
    878339
    878339

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 4-(4-bromophenyl)-2-methyl-N-(2-…

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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) 5.62 11.86 -19.77 2 4 0 58 451.364 3 ↓
    Mid Mid (pH 6-8) 5.75 -2.71 -10.24 1 4 0 58 451.364 3 ↓
    Mid Mid (pH 6-8) 5.58 -2.51 -10.31 1 4 0 58 451.364 3 ↓

    Analogs

    4168568
    4168568
    878335
    878335

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 4-(4-bromophenyl)-2-methyl-N-(2-…

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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) 5.62 11.9 -22.08 2 4 0 58 451.364 3 ↓
    Mid Mid (pH 6-8) 5.75 -2.51 -9.88 1 4 0 58 451.364 3 ↓
    Mid Mid (pH 6-8) 5.58 -2.3 -9.94 1 4 0 58 451.364 3 ↓

    Analogs

    4349927
    4349927

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 4-(3-methoxyphenyl)-2-methyl-N-(…

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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) 4.85 10.53 -25.46 2 5 0 67 402.494 4 ↓
    Mid Mid (pH 6-8) 4.97 -1.76 -11.77 1 5 0 67 402.494 4 ↓
    Mid Mid (pH 6-8) 4.80 -1.74 -12.42 1 5 0 67 402.494 4 ↓

    Parameters Provided:

    ring.id = 133568
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 = 133568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=133568&filter.purchasability=annotated

    Embed Link to Results

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