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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: 2-phenoxyethyl 4-{3-nitrophenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 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) 5.00 13.01 -28.11 1 8 0 110 448.475 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-{3-nitrophenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 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) 5.00 13.55 -30.89 1 8 0 110 448.475 8 ↓

    Analogs

    19848689
    19848689
    19848691
    19848691

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-(2,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(2,4-dichloroph…

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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) 5.87 13.26 -19.71 1 5 0 65 472.368 7 ↓

    Analogs

    19848689
    19848689
    19848691
    19848691

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-(2,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(2,4-dichloroph…

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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) 5.87 13.79 -23.58 1 5 0 65 472.368 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-{2-nitrophenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-{2-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) 4.50 14.05 -28.6 1 8 0 110 448.475 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-{2-nitrophenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-{2-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) 4.50 13.22 -27.69 1 8 0 110 448.475 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(4-chlorophenyl…

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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) 5.74 13.32 -18.66 1 5 0 65 437.923 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(4-chlorophenyl…

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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) 5.74 13.32 -18.49 1 5 0 65 437.923 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(3-chlorophenyl…

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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) 6.37 13.78 -18.24 1 5 0 65 465.977 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(3-chlorophenyl…

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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) 6.37 14.3 -24.66 1 5 0 65 465.977 7 ↓

    Analogs

    8439408
    8439408
    8439412
    8439412

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(2-methoxypheny…

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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) 4.60 12.21 -21.33 1 6 0 74 433.504 8 ↓

    Analogs

    8439408
    8439408
    8439412
    8439412

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(2-methoxypheny…

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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) 4.60 11.95 -20.49 1 6 0 74 433.504 8 ↓

    Analogs

    2774777
    2774777
    2774778
    2774778

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(2,3-dichloroph…

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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) 6.50 14.13 -21.06 1 5 0 65 500.422 7 ↓

    Analogs

    2774777
    2774777
    2774778
    2774778

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(2,3-dichloroph…

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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) 6.50 14.66 -25.11 1 5 0 65 500.422 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-[4-(dimethylami…

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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) 5.16 13.18 -21.03 1 6 0 68 446.547 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-[4-(dimethylami…

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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) 5.16 13.19 -20.83 1 6 0 68 446.547 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 2-methyl-5-oxo-4-…

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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) 5.06 12.35 -21.46 1 5 0 65 403.478 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 2-methyl-5-oxo-4-…

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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) 5.06 12.37 -21.29 1 5 0 65 403.478 7 ↓

    Analogs

    2784154
    2784154
    8440747
    8440747
    8440748
    8440748
    8440750
    8440750
    8440751
    8440751

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S)-4-(4-carbomethoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic-acid-2 (4S)-4-(4-carbomethoxyphenyl)-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) 5.89 13.91 -23.66 1 7 0 91 489.568 9 ↓

    Analogs

    8440747
    8440747
    8440748
    8440748
    8440750
    8440750
    8440751
    8440751
    2776220
    2776220

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-4-(4-carbomethoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic-acid-2 (4R)-4-(4-carbomethoxyphenyl)-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) 5.89 14.46 -26.12 1 7 0 91 489.568 9 ↓

    Analogs

    8426802
    8426802
    8426803
    8426803
    8439442
    8439442
    8439446
    8439446
    19848667
    19848667

    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) 5.09 11.68 -24.9 1 6 0 74 433.504 8 ↓

    Analogs

    8426802
    8426802
    8426803
    8426803
    8439442
    8439442
    8439446
    8439446
    19848667
    19848667

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

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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) 5.09 11.68 -24.7 1 6 0 74 433.504 8 ↓

    Analogs

    2784323
    2784323
    4067281
    4067281
    4067282
    4067282
    4067846
    4067846
    4067848
    4067848

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-(4-isopropylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(4-isopropylphe…

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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) 6.57 14.31 -21.49 1 5 0 65 445.559 8 ↓

    Analogs

    2784323
    2784323
    4067281
    4067281
    4067282
    4067282
    4067846
    4067846
    4067848
    4067848

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-(4-isopropylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(4-isopropylphe…

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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) 6.57 14.31 -20.71 1 5 0 65 445.559 8 ↓

    Analogs

    2784297
    2784297
    2955820
    2955820
    2955823
    2955823
    19770464
    19770464
    19770465
    19770465

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S)-4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-3-(2-phenoxyethoxycarbonyl)-6,8-dihydro-4H-quinolin-5-o (4S)-4-(2,5-dimethoxyphenyl)-2,7…

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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) 5.28 12.4 -20.57 1 7 0 83 491.584 9 ↓

    Analogs

    2955820
    2955820
    2955823
    2955823
    19770464
    19770464
    19770465
    19770465
    19770466
    19770466

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-3-(2-phenoxyethoxycarbonyl)-6,8-dihydro-4H-quinolin-5-o (4R)-4-(2,5-dimethoxyphenyl)-2,7…

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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) 5.28 12.16 -19.84 1 7 0 83 491.584 9 ↓

    Analogs

    2788632
    2788632
    2926045
    2926045
    2926049
    2926049
    2926054
    2926054
    2926059
    2926059

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S)-4-(2,4-dimethoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-phe (4S)-4-(2,4-dimethoxyphenyl)-5-k…

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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) 4.63 11.08 -23.5 1 7 0 83 463.53 9 ↓

    Analogs

    2926045
    2926045
    2926049
    2926049
    2926054
    2926054
    2926059
    2926059
    4068146
    4068146

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-4-(2,4-dimethoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-phe (4R)-4-(2,4-dimethoxyphenyl)-5-k…

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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) 4.63 11.6 -28.18 1 7 0 83 463.53 9 ↓

    Analogs

    4170868
    4170868

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 2-methyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 2-phenoxyethyl 2-methyl-4-(2-met…

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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 12.89 -18.42 1 5 0 65 417.505 7 ↓
    Mid Mid (pH 6-8) 5.11 -0.94 -9.79 0 5 0 64 417.505 7 ↓

    Analogs

    4170867
    4170867

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 2-methyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 2-phenoxyethyl 2-methyl-4-(2-met…

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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 12.93 -18.99 1 5 0 65 417.505 7 ↓
    Mid Mid (pH 6-8) 5.11 -0.88 -9.25 0 5 0 64 417.505 7 ↓

    Parameters Provided:

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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 = 230568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=230568&filter.purchasability=annotated

    Embed Link to Results

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