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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    276777
    276777

    Draw Identity 99% 90% 80% 70%

    Popular Name: LS-28476 LS-28476

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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) 2.43 -1.41 -10.9 3 3 0 55 268.36 5 ↓

    Analogs

    3632989
    3632989

    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) 3.43 -0.03 -10.38 1 2 0 29 253.345 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

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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) 3.48 7.86 -12.12 1 3 0 38 283.371 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-methyl-2-phenyl-propyl)-2-(o-tolyl)acetamide N-(2-methyl-2-phenyl-propyl)-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) 4.40 9.7 -11.56 1 2 0 29 281.399 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-2-phenyl-acetamide (2R)-2-amino-N-[(1S)-2-(4-fluoro…

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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) 0.83 6.19 -10.25 3 3 0 55 286.35 5 ↓
    Mid Mid (pH 6-8) 0.83 6.52 -47.07 4 3 1 57 287.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-2-phenyl-acetamide (2R)-2-amino-N-[(1R)-2-(4-fluoro…

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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) 0.83 6.18 -10.63 3 3 0 55 286.35 5 ↓
    Mid Mid (pH 6-8) 0.83 6.51 -48.64 4 3 1 57 287.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-aminophenyl)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]acetamide 2-(4-aminophenyl)-N-[(1S)-2-(4-f…

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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) 2.60 7.03 -12.41 3 3 0 55 286.35 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-aminophenyl)-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]acetamide 2-(4-aminophenyl)-N-[(1R)-2-(4-f…

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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) 2.60 7.02 -12.4 3 3 0 55 286.35 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-2-phenyl-acetamide (2S)-2-amino-N-[(1S)-2-(4-fluoro…

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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) 0.83 6.19 -11.26 3 3 0 55 286.35 5 ↓
    Mid Mid (pH 6-8) 0.83 6.52 -48.63 4 3 1 57 287.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-2-phenyl-acetamide (2S)-2-amino-N-[(1R)-2-(4-fluoro…

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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) 0.83 6.18 -11.24 3 3 0 55 286.35 5 ↓
    Mid Mid (pH 6-8) 0.83 6.51 -46.96 4 3 1 57 287.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(p-tolyl)acetamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.56 3.55 -10.84 4 4 0 75 284.359 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(p-tolyl)acetamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.56 3.45 -11 4 4 0 75 284.359 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(4-chlorophenyl)acetamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.79 3.4 -10.96 4 4 0 75 304.777 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(4-chlorophenyl)acetamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.79 3.29 -11.05 4 4 0 75 304.777 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-phenyl-acetamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.11 2.88 -10.76 4 4 0 75 270.332 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-phenyl-acetamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.11 2.77 -10.84 4 4 0 75 270.332 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(o-tolyl)acetamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.51 3.36 -10.74 4 4 0 75 284.359 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(o-tolyl)acetamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.51 3.26 -10.78 4 4 0 75 284.359 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(2-chlorophenyl)acetamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.74 3.31 -10.57 4 4 0 75 304.777 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(2-chlorophenyl)acetamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.74 3.2 -10.66 4 4 0 75 304.777 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(3-fluorophenyl)acetamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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 2.95 -11.8 4 4 0 75 288.322 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(3-fluorophenyl)acetamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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 2.84 -11.91 4 4 0 75 288.322 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(4-fluorophenyl)acetamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.28 2.95 -11.69 4 4 0 75 288.322 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(4-fluorophenyl)acetamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.28 2.84 -11.71 4 4 0 75 288.322 5 ↓

    Analogs

    36147615
    36147615

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(2-fluorophenyl)acetamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.23 2.91 -11.84 4 4 0 75 288.322 5 ↓

    Analogs

    36147615
    36147615

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(2-fluorophenyl)acetamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.23 2.8 -11.86 4 4 0 75 288.322 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(4-bromophenyl)acetamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.92 3.5 -10.97 4 4 0 75 349.228 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-(4-bromophenyl)acetamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.92 3.4 -11.04 4 4 0 75 349.228 5 ↓

    Analogs

    40313521
    40313521
    40313523
    40313523

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-aminophenyl)-N-(2-methyl-2-phenyl-propyl)acetamide 2-(2-aminophenyl)-N-(2-methyl-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) 3.43 7.09 -10.33 3 3 0 55 282.387 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide 2-[4-(difluoromethoxy)phenyl]-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) 3.48 8.06 -47.48 2 5 1 52 379.427 9 ↓
    Mid Mid (pH 6-8) 3.48 6.4 -14.28 1 5 0 51 378.419 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide 2-[4-(difluoromethoxy)phenyl]-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) 3.48 8.07 -47.67 2 5 1 52 379.427 9 ↓
    Mid Mid (pH 6-8) 3.48 5.57 -13.18 1 5 0 51 378.419 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-fluoro-4-methoxy-phenyl)acetamide N-[(2R)-2-(dimethylamino)-2-(3-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) 3.02 7.84 -48.99 2 5 1 52 361.437 8 ↓
    Mid Mid (pH 6-8) 3.02 5.97 -14.94 1 5 0 51 360.429 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-fluoro-4-methoxy-phenyl)acetamide N-[(2S)-2-(dimethylamino)-2-(3-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) 3.02 7.86 -48.76 2 5 1 52 361.437 8 ↓
    Mid Mid (pH 6-8) 3.02 5.33 -13.64 1 5 0 51 360.429 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(diethylamino)-2-phenyl-ethyl]-2-(3-fluoro-4-methoxy-phenyl)acetamide N-[(2R)-2-(diethylamino)-2-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) 3.73 9.8 -48.31 2 4 1 43 359.465 9 ↓
    Hi High (pH 8-9.5) 3.73 8.18 -11.62 1 4 0 42 358.457 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(diethylamino)-2-phenyl-ethyl]-2-(3-fluoro-4-methoxy-phenyl)acetamide N-[(2S)-2-(diethylamino)-2-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) 3.73 9.23 -47.86 2 4 1 43 359.465 9 ↓
    Hi High (pH 8-9.5) 3.73 7.5 -11.99 1 4 0 42 358.457 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-propanamide (2R)-2-amino-N-[2-(4-fluoropheny…

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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) 2.83 5.9 -11.05 3 3 0 55 286.35 5 ↓
    Mid Mid (pH 6-8) 2.83 6.15 -58.56 4 3 1 57 287.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-propanamide (2S)-2-amino-N-[2-(4-fluoropheny…

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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) 2.83 5.84 -9.67 3 3 0 55 286.35 5 ↓
    Mid Mid (pH 6-8) 2.83 6.15 -58.56 4 3 1 57 287.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenyl-propanamide (2R)-2-amino-N-[2-(2-fluoropheny…

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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) 2.78 5.87 -10.75 3 3 0 55 286.35 5 ↓
    Mid Mid (pH 6-8) 2.78 6.13 -55.41 4 3 1 57 287.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenyl-propanamide (2S)-2-amino-N-[2-(2-fluoropheny…

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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) 2.78 5.81 -9.6 3 3 0 55 286.35 5 ↓
    Mid Mid (pH 6-8) 2.78 6.13 -54.01 4 3 1 57 287.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-phenethyl-2-phenyl-propanamide (2R)-2-amino-N-phenethyl-2-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) 2.66 5.77 -8.5 3 3 0 55 268.36 5 ↓
    Mid Mid (pH 6-8) 2.66 6.08 -55.02 4 3 1 57 269.368 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-phenethyl-2-phenyl-propanamide (2S)-2-amino-N-phenethyl-2-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) 2.66 5.84 -9.71 3 3 0 55 268.36 5 ↓
    Mid Mid (pH 6-8) 2.66 6.08 -54.99 4 3 1 57 269.368 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(2R)-2-hydroxy-2-phenyl-ethyl]-2-phenyl-propanamide (2R)-2-amino-N-[(2R)-2-hydroxy-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) 1.67 2.69 -8.52 4 4 0 75 284.359 5 ↓
    Mid Mid (pH 6-8) 1.67 3 -52.89 5 4 1 77 285.367 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-[(2R)-2-hydroxy-2-phenyl-ethyl]-2-phenyl-propanamide (2S)-2-amino-N-[(2R)-2-hydroxy-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) 1.67 2.76 -9.27 4 4 0 75 284.359 5 ↓
    Mid Mid (pH 6-8) 1.67 3 -52.56 5 4 1 77 285.367 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-2-phenyl-propanamide (2R)-2-amino-N-[(2S)-2-hydroxy-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) 1.67 2.61 -8.53 4 4 0 75 284.359 5 ↓
    Mid Mid (pH 6-8) 1.67 2.92 -52.63 5 4 1 77 285.367 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-2-phenyl-propanamide (2S)-2-amino-N-[(2S)-2-hydroxy-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) 1.67 2.68 -9.43 4 4 0 75 284.359 5 ↓
    Mid Mid (pH 6-8) 1.67 2.92 -53.04 5 4 1 77 285.367 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-propanamide (2R)-2-amino-N-[2-(3-fluoropheny…

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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) 2.80 5.84 -9.7 3 3 0 55 286.35 5 ↓
    Mid Mid (pH 6-8) 2.80 6.15 -57.97 4 3 1 57 287.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-propanamide (2S)-2-amino-N-[2-(3-fluoropheny…

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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) 2.80 5.91 -11.05 3 3 0 55 286.35 5 ↓
    Mid Mid (pH 6-8) 2.80 6.15 -57.3 4 3 1 57 287.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-methyl-N-phenethyl-2-phenyl-propanamide (2R)-2-amino-N-methyl-N-phenethy…

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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) 2.91 7.64 -7.17 2 3 0 46 282.387 5 ↓
    Mid Mid (pH 6-8) 2.91 7.84 -46.97 3 3 1 48 283.395 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-methyl-N-phenethyl-2-phenyl-propanamide (2S)-2-amino-N-methyl-N-phenethy…

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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) 2.91 7.67 -9.25 2 3 0 46 282.387 5 ↓
    Mid Mid (pH 6-8) 2.91 8.03 -49.68 3 3 1 48 283.395 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-propanamide (2R)-2-amino-N-[2-(4-hydroxyphen…

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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 -10.25 4 4 0 75 284.359 5 ↓
    Mid Mid (pH 6-8) 2.18 3.23 -57.8 5 4 1 77 285.367 5 ↓

    Parameters Provided:

    ring.id = 405
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 = 405 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=405&filter.purchasability=annotated

    Embed Link to Results

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