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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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) 2.16 1.83 -11.83 1 6 0 73 318.373 6 ↓

    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) 2.16 1.83 -12.19 1 6 0 73 318.373 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-amino-2-oxo-ethyl)-N-[(4-aminophenyl)methyl]-5-methyl-isoxazole-4-carboxamide N-(2-amino-2-oxo-ethyl)-N-[(4-am…

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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 1.38 -14.65 4 7 0 115 288.307 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-amino-2-oxo-ethyl)-N-[(3-aminophenyl)methyl]-5-methyl-isoxazole-4-carboxamide N-(2-amino-2-oxo-ethyl)-N-[(3-am…

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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 1.37 -14.56 4 7 0 115 288.307 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-amino-2-oxo-ethyl)-N-[(2-aminophenyl)methyl]-5-methyl-isoxazole-4-carboxamide N-(2-amino-2-oxo-ethyl)-N-[(2-am…

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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) -0.90 1.98 -13.97 4 7 0 115 288.307 5 ↓

    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) 0.65 7.14 -13.9 1 6 0 81 320.32 6 ↓

    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) 0.65 7.23 -14.12 1 6 0 81 320.32 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[(5-methylisoxazole-4-carbonyl)amino]-2-phenyl-propanoic (2S)-2-[(5-methylisoxazole-4-car…

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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) 1.04 6.4 -53.65 1 6 -1 95 273.268 4 ↓

    Analogs

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    Popular Name: (2R)-2-[(5-methylisoxazole-4-carbonyl)amino]-2-phenyl-propanoic (2R)-2-[(5-methylisoxazole-4-car…

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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) 1.04 6.41 -53.65 1 6 -1 95 273.268 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[(3,5-dimethylisoxazole-4-carbonyl)amino]-2-phenyl-propanoic (2S)-2-[(3,5-dimethylisoxazole-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) 1.26 6.96 -53.7 1 6 -1 95 287.295 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[(3,5-dimethylisoxazole-4-carbonyl)amino]-2-phenyl-propanoic (2R)-2-[(3,5-dimethylisoxazole-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) 1.26 6.97 -52.26 1 6 -1 95 287.295 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-5-methyl-isoxazole-4-carboxamide N-[[4-(2-aminoethyl)phenyl]methy…

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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) 0.15 3.33 -53.71 4 5 1 83 260.317 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-3,5-dimethyl-isoxazole-4-carboxamide N-[[4-(2-aminoethyl)phenyl]methy…

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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) 0.37 3.84 -54.05 4 5 1 83 274.344 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3-aminophenyl)methyl]-5-methyl-isoxazole-4-carboxamide N-[(3-aminophenyl)methyl]-5-meth…

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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) 0.22 2.37 -8.48 3 5 0 81 231.255 3 ↓

    Analogs

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    Popular Name: N-[(2-bromophenyl)methyl]-5-isopropyl-N,3-dimethyl-isoxazole-4-carboxamide N-[(2-bromophenyl)methyl]-5-isop…

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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) 2.98 9.17 -7.16 0 4 0 46 351.244 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-isopropyl-N-[[2-(isopropylsulfamoylmethyl)phenyl]methyl]-3-methyl-isoxazole-4-carboxamide 5-isopropyl-N-[[2-(isopropylsulf…

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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) 2.20 5.27 -19.05 2 7 0 101 393.509 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2,4-dimethylphenyl)methyl]-5-isopropyl-N,3-dimethyl-isoxazole-4-carboxamide N-[(2,4-dimethylphenyl)methyl]-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) 3.04 10.76 -9.53 0 4 0 46 300.402 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(4-bromophenyl)propyl]-3-ethyl-5-methyl-isoxazole-4-carboxamide N-[(1S)-1-(4-bromophenyl)propyl]…

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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) 2.93 7.81 -8.55 1 4 0 55 351.244 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(4-bromophenyl)propyl]-3-ethyl-5-methyl-isoxazole-4-carboxamide N-[(1R)-1-(4-bromophenyl)propyl]…

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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) 2.93 7.83 -8.36 1 4 0 55 351.244 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-ethyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-isoxazole-4-carboxamide 3-ethyl-N-[(1S)-1-[3-(methanesul…

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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) 1.73 3.37 -44.91 1 7 -1 103 350.42 6 ↓
    Lo Low (pH 4.5-6) 1.73 3.32 -16.52 2 7 0 101 351.428 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-ethyl-N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-isoxazole-4-carboxamide 3-ethyl-N-[(1R)-1-[3-(methanesul…

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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) 1.73 3.36 -44.23 1 7 -1 103 350.42 6 ↓
    Lo Low (pH 4.5-6) 1.73 3.32 -16.49 2 7 0 101 351.428 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[3-(dimethylamino)phenyl]methyl]-5-isopropyl-3-methyl-isoxazole-4-carboxamide N-[[3-(dimethylamino)phenyl]meth…

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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) 2.52 6.79 -8.99 1 5 0 58 301.39 5 ↓
    Lo Low (pH 4.5-6) 2.52 7.57 -23.15 2 5 0 60 302.398 5 ↓

    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) 2.61 7.04 -12.35 1 6 0 81 316.357 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1R)-1-(3,4-difluorophenyl)et…

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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) 2.20 6.42 -11.28 1 4 0 55 280.274 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1S)-1-(3,4-difluorophenyl)et…

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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) 2.20 6.41 -10.36 1 4 0 55 280.274 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1R)-2-hydroxy-1-phenyl-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) 0.94 2.71 -9.38 2 5 0 75 260.293 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1S)-2-hydroxy-1-phenyl-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) 0.94 2.71 -9.33 2 5 0 75 260.293 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-5-methyl-isoxazole-4-carboxamide N-[(1R)-2-hydroxy-1-phenyl-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) 0.72 2.18 -8.64 2 5 0 75 246.266 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-5-methyl-isoxazole-4-carboxamide N-[(1S)-2-hydroxy-1-phenyl-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) 0.72 2.19 -8.64 2 5 0 75 246.266 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-5-isopropyl-3-methyl-isoxazole-4-carboxamide N-[(1R)-2-hydroxy-1-phenyl-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) 1.99 4.08 -8.8 2 5 0 75 288.347 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-5-isopropyl-3-methyl-isoxazole-4-carboxamide N-[(1S)-2-hydroxy-1-phenyl-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) 1.99 4.08 -8.76 2 5 0 75 288.347 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-ethyl-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-5-methyl-isoxazole-4-carboxamide 3-ethyl-N-[(1R)-2-hydroxy-1-phen…

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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 3.43 -9.16 2 5 0 75 274.32 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-ethyl-N-[(1S)-2-hydroxy-1-phenyl-ethyl]-5-methyl-isoxazole-4-carboxamide 3-ethyl-N-[(1S)-2-hydroxy-1-phen…

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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 3.43 -9.11 2 5 0 75 274.32 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-5-isopropyl-3-methyl-isoxazole-4-carboxamide N-[(3-chloro-4-fluoro-phenyl)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) 3.21 6.95 -10.36 1 4 0 55 310.756 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) 0.92 8.07 -13.67 1 6 0 81 348.424 7 ↓

    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) 0.92 8.17 -13.78 1 6 0 81 348.424 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-isopropyl-3-methyl-N-[(1S)-1-(3-prop-2-ynoxyphenyl)ethyl]isoxazole-4-carboxamide 5-isopropyl-3-methyl-N-[(1S)-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) 3.19 8.01 -11.81 1 5 0 64 326.396 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-isopropyl-3-methyl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]isoxazole-4-carboxamide 5-isopropyl-3-methyl-N-[(1R)-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) 3.19 8 -11.61 1 5 0 64 326.396 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl]-3,5-dimethyl-isoxazole-4-carboxamide N-[[4-(2-amino-2-oxo-ethoxy)-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) -0.24 2.18 -22.78 3 8 0 117 333.344 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-benzyl-3-ethyl-N-(2-hydroxyethyl)-5-methyl-isoxazole-4-carboxamide N-benzyl-3-ethyl-N-(2-hydroxyeth…

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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) 1.10 5.33 -9.88 1 5 0 67 288.347 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-ethyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methyl-isoxazole-4-carboxamide 3-ethyl-N-[(1S)-1-(4-methoxyphen…

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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) 2.17 6.48 -9.52 1 5 0 64 302.374 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-ethyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-methyl-isoxazole-4-carboxamide 3-ethyl-N-[(1R)-1-(4-methoxyphen…

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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) 2.17 6.5 -9.34 1 5 0 64 302.374 6 ↓

    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) 0.98 8.28 -13.29 0 6 0 73 316.357 7 ↓

    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) 1.46 7.76 -10.76 0 6 0 73 338.31 5 ↓

    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) 1.46 7.85 -10.31 0 6 0 73 338.31 5 ↓

    Analogs

    6676163
    6676163

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1S)-1-[3-methoxy-4-(2-methox…

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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) 1.48 5.29 -14.85 1 7 0 83 348.399 8 ↓

    Analogs

    6676163
    6676163

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1R)-1-[3-methoxy-4-(2-methox…

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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) 1.48 5.28 -14.73 1 7 0 83 348.399 8 ↓

    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) 2.13 6.42 -12.88 1 6 0 81 338.31 5 ↓

    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) 2.13 6.44 -12.78 1 6 0 81 338.31 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1S)-1-(3-chloro-4-fluoro-phe…

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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) 2.71 6.43 -10.98 1 4 0 55 296.729 3 ↓

    Parameters Provided:

    ring.id = 4349
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 = 4349 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=4349&filter.purchasability=annotated

    Embed Link to Results

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