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    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(isopropylcarbamoylamino)-N-(4-pyridylmethyl)benzamide 2-(isopropylcarbamoylamino)-N-(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) 1.37 4.48 -11.95 3 6 0 83 312.373 5 ↓
    Lo Low (pH 4.5-6) 1.37 5 -47.08 4 6 1 84 313.381 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-acetamido-2-fluoro-N-(4-pyridylmethyl)benzamide 5-acetamido-2-fluoro-N-(4-pyridy…

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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) 0.55 3.84 -16.41 2 5 0 71 287.294 4 ↓
    Lo Low (pH 4.5-6) 0.55 4.3 -53.22 3 5 1 72 288.302 4 ↓

    Analogs

    21807609
    21807609
    36776866
    36776866
    36776868
    36776868

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-carbamothioyl-N-(4-pyridylmethyl)benzamide 4-carbamothioyl-N-(4-pyridylmeth…

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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 4.03 -23.73 3 4 0 68 271.345 4 ↓
    Lo Low (pH 4.5-6) 1.04 4.47 -63.41 4 4 1 69 272.353 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-hydroxy-4-methoxy-N-(4-pyridylmethyl)benzamide 2-hydroxy-4-methoxy-N-(4-pyridyl…

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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) 1.76 2.68 -15.3 2 5 0 71 258.277 4 ↓
    Hi High (pH 8-9.5) 1.76 3.71 -57.87 1 5 -1 74 257.269 4 ↓
    Lo Low (pH 4.5-6) 1.76 3.12 -50.67 3 5 1 73 259.285 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-dimethylamino-5-nitro-N-(4-pyridylmethyl)benzamide 2-dimethylamino-5-nitro-N-(4-pyr…

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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 6.15 -10.67 1 7 0 91 300.318 5 ↓
    Lo Low (pH 4.5-6) 1.23 6.59 -44.68 2 7 1 92 301.326 5 ↓

    Analogs

    12536557
    12536557

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-pyridylmethyl)-4-(sec-butylsulfamoyl)benzamide N-(4-pyridylmethyl)-4-(sec-butyl…

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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) 1.52 3.28 -14.02 2 6 0 88 347.44 7 ↓
    Lo Low (pH 4.5-6) 1.52 3.56 -49.29 3 6 1 89 348.448 7 ↓

    Analogs

    12536556
    12536556

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-pyridylmethyl)-4-(sec-butylsulfamoyl)benzamide N-(4-pyridylmethyl)-4-(sec-butyl…

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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) 1.52 3.36 -14 2 6 0 88 347.44 7 ↓
    Lo Low (pH 4.5-6) 1.52 3.64 -49.24 3 6 1 89 348.448 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-4-methyl-N-(4-pyridylmethyl)benzamide 3-fluoro-4-methyl-N-(4-pyridylme…

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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) 1.78 5.56 -10.45 1 3 0 42 244.269 3 ↓
    Lo Low (pH 4.5-6) 1.78 5.84 -45.23 2 3 1 43 245.277 3 ↓

    Analogs

    12537208
    12537208
    40049482
    40049482
    59928764
    59928764

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-methoxy-4-pyridyl)methyl]-4-methyl-benzamide N-[(2-methoxy-4-pyridyl)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) 2.09 4.01 -9.45 1 4 0 51 256.305 4 ↓
    Lo Low (pH 4.5-6) 2.09 4.73 -39.67 2 4 1 52 257.313 4 ↓

    Analogs

    40049482
    40049482
    59928764
    59928764
    12536810
    12536810

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-methoxy-4-pyridyl)methyl]benzamide N-[(2-methoxy-4-pyridyl)methyl]b…

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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) 1.64 3.29 -10.7 1 4 0 51 242.278 4 ↓

    Analogs

    12537441
    12537441

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-N-[(1R)-1-(4-pyridyl)ethyl]benzamide 2-chloro-N-[(1R)-1-(4-pyridyl)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) 2.43 6.21 -11.05 1 3 0 42 260.724 3 ↓
    Lo Low (pH 4.5-6) 2.43 6.49 -44.47 2 3 1 43 261.732 3 ↓

    Analogs

    12537440
    12537440

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-N-[(1S)-1-(4-pyridyl)ethyl]benzamide 2-chloro-N-[(1S)-1-(4-pyridyl)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) 2.43 6.21 -11.04 1 3 0 42 260.724 3 ↓
    Lo Low (pH 4.5-6) 2.43 6.49 -44.47 2 3 1 43 261.732 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-methoxy-4-pyridyl)methyl]-2-methyl-benzamide N-[(2-methoxy-4-pyridyl)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) 2.04 4 -8.76 1 4 0 51 256.305 4 ↓
    Lo Low (pH 4.5-6) 2.04 4.72 -38.77 2 4 1 52 257.313 4 ↓

    Analogs

    12537895
    12537895

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-4-methyl-N-[(1R)-1-(4-pyridyl)ethyl]benzamide 3-fluoro-4-methyl-N-[(1R)-1-(4-p…

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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) 2.34 6.41 -11.39 1 3 0 42 258.296 3 ↓
    Lo Low (pH 4.5-6) 2.34 6.68 -46.44 2 3 1 43 259.304 3 ↓

    Analogs

    12537894
    12537894

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-4-methyl-N-[(1S)-1-(4-pyridyl)ethyl]benzamide 3-fluoro-4-methyl-N-[(1S)-1-(4-p…

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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) 2.34 6.41 -11.4 1 3 0 42 258.296 3 ↓
    Lo Low (pH 4.5-6) 2.34 6.68 -46.44 2 3 1 43 259.304 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-aminoethyl)-N-(4-pyridylmethyl)benzamide 3-(2-aminoethyl)-N-(4-pyridylmet…

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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) 0.20 3.66 -50.95 4 4 1 70 256.329 5 ↓
    Lo Low (pH 4.5-6) 0.20 4.12 -90.48 5 4 2 71 257.337 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-aminoethyl)-N-[(1S)-1-(4-pyridyl)ethyl]benzamide 3-(2-aminoethyl)-N-[(1S)-1-(4-py…

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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) 0.76 4.51 -51.39 4 4 1 70 270.356 5 ↓
    Lo Low (pH 4.5-6) 0.76 4.96 -91.04 5 4 2 71 271.364 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-aminoethyl)-N-[(1R)-1-(4-pyridyl)ethyl]benzamide 3-(2-aminoethyl)-N-[(1R)-1-(4-py…

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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) 0.76 4.51 -51.23 4 4 1 70 270.356 5 ↓
    Lo Low (pH 4.5-6) 0.76 4.96 -91.41 5 4 2 71 271.364 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-aminoethyl)-N-methyl-N-(4-pyridylmethyl)benzamide 3-(2-aminoethyl)-N-methyl-N-(4-p…

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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) -0.03 5.42 -51.27 3 4 1 61 270.356 5 ↓
    Lo Low (pH 4.5-6) -0.03 5.88 -88.36 4 4 2 62 271.364 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-aminoethyl)-N-ethyl-N-(4-pyridylmethyl)benzamide 3-(2-aminoethyl)-N-ethyl-N-(4-py…

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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) 0.35 6.27 -50.85 3 4 1 61 284.383 6 ↓
    Lo Low (pH 4.5-6) 0.35 6.73 -88.35 4 4 2 62 285.391 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-amino-4-nitro-N-[(1S)-1-(4-pyridyl)ethyl]benzamide 3-amino-4-nitro-N-[(1S)-1-(4-pyr…

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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) 1.17 4.48 -11.53 3 7 0 114 286.291 4 ↓
    Lo Low (pH 4.5-6) 1.17 4.94 -47.68 4 7 1 115 287.299 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-amino-4-nitro-N-[(1R)-1-(4-pyridyl)ethyl]benzamide 3-amino-4-nitro-N-[(1R)-1-(4-pyr…

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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) 1.17 4.48 -11.52 3 7 0 114 286.291 4 ↓
    Lo Low (pH 4.5-6) 1.17 4.94 -47.67 4 7 1 115 287.299 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-amino-N-methyl-4-nitro-N-(4-pyridylmethyl)benzamide 3-amino-N-methyl-4-nitro-N-(4-py…

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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) 0.38 5.36 -12.78 2 7 0 105 286.291 4 ↓
    Lo Low (pH 4.5-6) 0.38 5.82 -42.52 3 7 1 106 287.299 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-hydrazino-4-nitro-N-(4-pyridylmethyl)benzamide 3-hydrazino-4-nitro-N-(4-pyridyl…

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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 3.35 -11.37 4 8 0 126 287.279 5 ↓
    Lo Low (pH 4.5-6) 0.37 3.82 -47.48 5 8 1 127 288.287 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-4-nitro-N-(4-pyridylmethyl)benzamide 3-fluoro-4-nitro-N-(4-pyridylmet…

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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) 1.29 5.59 -11.37 1 6 0 88 275.239 4 ↓
    Lo Low (pH 4.5-6) 1.29 6.05 -47.21 2 6 1 89 276.247 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-4-nitro-N-[(1S)-1-(4-pyridyl)ethyl]benzamide 3-fluoro-4-nitro-N-[(1S)-1-(4-py…

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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) 1.85 6.43 -14.71 1 6 0 88 289.266 4 ↓
    Lo Low (pH 4.5-6) 1.85 6.89 -53.51 2 6 1 89 290.274 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-4-nitro-N-[(1R)-1-(4-pyridyl)ethyl]benzamide 3-fluoro-4-nitro-N-[(1R)-1-(4-py…

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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) 1.85 6.43 -14.69 1 6 0 88 289.266 4 ↓
    Lo Low (pH 4.5-6) 1.85 6.89 -53.52 2 6 1 89 290.274 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-N-methyl-4-nitro-N-(4-pyridylmethyl)benzamide 3-fluoro-N-methyl-4-nitro-N-(4-p…

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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) 1.06 7.35 -16.21 0 6 0 79 289.266 4 ↓
    Lo Low (pH 4.5-6) 1.06 7.81 -46.1 1 6 1 80 290.274 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(isopropylsulfamoyl)-N-[(1S)-1-(4-pyridyl)ethyl]benzamide 3-(isopropylsulfamoyl)-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) 1.52 3.28 -17.04 2 6 0 88 347.44 6 ↓
    Lo Low (pH 4.5-6) 1.52 3.81 -52.63 3 6 1 89 348.448 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(isopropylsulfamoyl)-N-[(1R)-1-(4-pyridyl)ethyl]benzamide 3-(isopropylsulfamoyl)-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) 1.52 3.28 -16.77 2 6 0 88 347.44 6 ↓
    Lo Low (pH 4.5-6) 1.52 3.81 -53.11 3 6 1 89 348.448 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) 2.15 5.88 -10.94 1 4 0 51 270.332 6 ↓
    Lo Low (pH 4.5-6) 2.15 6.16 -44.48 2 4 1 52 271.34 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-methoxy-4-pyridyl)methyl]-4-(methylsulfamoyl)benzamide N-[(2-methoxy-4-pyridyl)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) 0.71 -0.49 -15.22 2 7 0 97 335.385 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3-dimethoxy-N-[(1S)-1-(4-pyridyl)ethyl]benzamide 2,3-dimethoxy-N-[(1S)-1-(4-pyrid…

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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 -14.04 1 5 0 60 286.331 5 ↓
    Lo Low (pH 4.5-6) 2.17 6.46 -48.31 2 5 1 62 287.339 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3-dimethoxy-N-[(1R)-1-(4-pyridyl)ethyl]benzamide 2,3-dimethoxy-N-[(1R)-1-(4-pyrid…

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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 -14.12 1 5 0 60 286.331 5 ↓
    Lo Low (pH 4.5-6) 2.17 6.46 -48.04 2 5 1 62 287.339 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-methyl-N-(4-pyridylmethyl)-4-(ureidomethyl)benzamide N-methyl-N-(4-pyridylmethyl)-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) -0.15 2.83 -16.57 3 6 0 88 298.346 5 ↓
    Lo Low (pH 4.5-6) -0.15 3.29 -43.44 4 6 1 90 299.354 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-hydroxy-3-methoxy-N-[(2-methoxy-4-pyridyl)methyl]benzamide 2-hydroxy-3-methoxy-N-[(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) 1.73 1.63 -13.8 2 6 0 81 288.303 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-2-hydroxy-N-[(2-methoxy-4-pyridyl)methyl]benzamide 4-chloro-2-hydroxy-N-[(2-methoxy…

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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 2.39 -10.37 2 5 0 71 292.722 4 ↓
    Hi High (pH 8-9.5) 2.78 3.4 -49.9 1 5 -1 74 291.714 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-hydroxy-N-[(2-methoxy-4-pyridyl)methyl]benzamide 4-hydroxy-N-[(2-methoxy-4-pyridy…

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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) 1.16 0.49 -10.71 2 5 0 71 258.277 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-N-[(2-methoxy-4-pyridyl)methyl]benzamide 4-bromo-N-[(2-methoxy-4-pyridyl)…

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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) 2.45 3.95 -8.67 1 4 0 51 321.174 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-iodo-N-[(2-methoxy-4-pyridyl)methyl]benzamide 3-iodo-N-[(2-methoxy-4-pyridyl)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) 2.70 4.42 -10.03 1 4 0 51 368.174 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-2-hydroxy-N-[(2-methoxy-4-pyridyl)methyl]benzamide 5-chloro-2-hydroxy-N-[(2-methoxy…

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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 2.39 -9.67 2 5 0 71 292.722 4 ↓
    Hi High (pH 8-9.5) 2.78 3.39 -47.55 1 5 -1 74 291.714 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-hydroxy-N-[(2-methoxy-4-pyridyl)methyl]-3-methyl-benzamide 2-hydroxy-N-[(2-methoxy-4-pyridy…

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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) 2.32 2.58 -11.41 2 5 0 71 272.304 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-bromo-4-methoxy-N-[(2-methoxy-4-pyridyl)methyl]benzamide 3-bromo-4-methoxy-N-[(2-methoxy-…

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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 3.31 -9.52 1 5 0 60 351.2 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-2-fluoro-N-[(2-methoxy-4-pyridyl)methyl]benzamide 4-bromo-2-fluoro-N-[(2-methoxy-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) 2.54 4.03 -11.31 1 4 0 51 339.164 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-hydroxy-N-[(2-methoxy-4-pyridyl)methyl]benzamide 3-hydroxy-N-[(2-methoxy-4-pyridy…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 1.14 0.48 -11.85 2 5 0 71 258.277 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-hydroxy-N-[(2-methoxy-4-pyridyl)methyl]-4-methyl-benzamide 3-hydroxy-N-[(2-methoxy-4-pyridy…

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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) 2.00 1.22 -11.66 2 5 0 71 272.304 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-hydroxy-5-methoxy-N-[(2-methoxy-4-pyridyl)methyl]benzamide 2-hydroxy-5-methoxy-N-[(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) 2.16 1.17 -11.31 2 6 0 81 288.303 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-bromo-2-fluoro-N-[(2-methoxy-4-pyridyl)methyl]benzamide 5-bromo-2-fluoro-N-[(2-methoxy-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) 2.54 4.03 -10.28 1 4 0 51 339.164 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methanesulfonamido-N-(4-pyridylmethyl)benzamide 3-methanesulfonamido-N-(4-pyridy…

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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) 0.45 1.46 -21.31 2 6 0 88 305.359 5 ↓
    Hi High (pH 8-9.5) 0.45 1.53 -49.48 1 6 -1 90 304.351 5 ↓
    Lo Low (pH 4.5-6) 0.45 1.74 -55.02 3 6 1 89 306.367 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methanesulfonamido-4-methyl-N-(4-pyridylmethyl)benzamide 3-methanesulfonamido-4-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) 0.85 2.33 -19 2 6 0 88 319.386 5 ↓
    Hi High (pH 8-9.5) 0.85 2.41 -47.06 1 6 -1 90 318.378 5 ↓
    Lo Low (pH 4.5-6) 0.85 2.6 -52.84 3 6 1 89 320.394 5 ↓

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=5491&filter.purchasability=annotated

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