UCSF
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Analogs

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Popular Name: (2S)-1-(4-fluorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (2S)-1-(4-fluorophenyl)-N-[(1,3,…

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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) 2.62 7.35 -6.91 1 3 0 30 275.371 5 ↓
Lo Low (pH 4.5-6) 2.62 8.38 -44.48 2 3 1 34 276.379 5 ↓

Analogs

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Popular Name: (2R)-1-(4-fluorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (2R)-1-(4-fluorophenyl)-N-[(1,3,…

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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) 2.62 7.19 -7.42 1 3 0 30 275.371 5 ↓
Lo Low (pH 4.5-6) 2.62 8.38 -45.66 2 3 1 34 276.379 5 ↓

Analogs

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Popular Name: (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine (2S)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 2.55 7.17 -45.39 3 3 1 45 262.352 5 ↓
Mid Mid (pH 6-8) 2.55 6.14 -7 2 3 0 41 261.344 5 ↓

Analogs

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Popular Name: (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine (2R)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 2.55 7.17 -44.42 3 3 1 45 262.352 5 ↓
Mid Mid (pH 6-8) 2.55 5.98 -6.14 2 3 0 41 261.344 5 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine 2-(4-chlorophenyl)-N-[(1-methylp…

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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) 2.36 7.34 -51.33 2 3 1 34 250.753 5 ↓
Mid Mid (pH 6-8) 2.36 5.92 -7.51 1 3 0 30 249.745 5 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine 2-(4-chlorophenyl)-N-[(1,3,5-tri…

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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 6.93 -7.94 1 3 0 30 277.799 5 ↓
Lo Low (pH 4.5-6) 2.80 8.35 -51.91 2 3 1 34 278.807 5 ↓

Analogs

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Popular Name: (2S)-N1-methyl-N1-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-propane-1,2-diamine (2S)-N1-methyl-N1-[(1-methylpyra…

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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 4.27 -46.21 3 4 1 49 259.377 5 ↓
Hi High (pH 8-9.5) 1.56 4.85 -6.21 2 4 0 47 258.369 5 ↓
Lo Low (pH 4.5-6) 1.56 5.98 -40.68 3 4 1 48 259.377 5 ↓

Analogs

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Popular Name: (2R)-N1-methyl-N1-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-propane-1,2-diamine (2R)-N1-methyl-N1-[(1-methylpyra…

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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 4.33 -42.93 3 4 1 49 259.377 5 ↓
Hi High (pH 8-9.5) 1.56 4.27 -5.73 2 4 0 47 258.369 5 ↓
Lo Low (pH 4.5-6) 1.56 6.72 -39.17 3 4 1 48 259.377 5 ↓

Analogs

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Popular Name: 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]aniline 2-[2-[methyl-[(1-methylpyrazol-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) 1.36 6.58 -42.88 3 4 1 48 245.35 5 ↓
Hi High (pH 8-9.5) 1.36 4.24 -7.14 2 4 0 47 244.342 5 ↓

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine 2-(3,4-dimethoxyphenyl)-N-[(3,5-…

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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) 1.70 5.74 -53.5 3 5 1 64 290.387 7 ↓
Mid Mid (pH 6-8) 1.70 4.37 -10.35 2 5 0 59 289.379 7 ↓

Analogs

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Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)ethanamine N-[(3,5-dimethyl-1H-pyrazol-4-yl…

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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) 2.22 6.61 -51.46 3 3 1 45 248.325 5 ↓
Mid Mid (pH 6-8) 2.22 5.24 -7.26 2 3 0 41 247.317 5 ↓

Analogs

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Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methoxyphenyl)ethanamine N-[(3,5-dimethyl-1H-pyrazol-4-yl…

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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) 2.11 5.84 -49.32 3 4 1 55 260.361 6 ↓
Hi High (pH 8-9.5) 2.11 4.48 -7.86 2 4 0 50 259.353 6 ↓

Analogs

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Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-fluorophenyl)ethanamine N-[(3,5-dimethyl-1H-pyrazol-4-yl…

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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 5.21 -6.8 2 3 0 41 247.317 5 ↓
Mid Mid (pH 6-8) 2.17 6.58 -44.61 3 3 1 45 248.325 5 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine 2-(2,4-dichlorophenyl)-N-[(3,5-d…

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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) 3.34 6.09 -6.03 2 3 0 41 298.217 5 ↓
Mid Mid (pH 6-8) 3.34 7.46 -47.54 3 3 1 45 299.225 5 ↓

Analogs

37777211
37777211
37777212
37777212

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Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenyl-ethanamine N-[(3,5-dimethyl-1H-pyrazol-4-yl…

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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) 2.05 6.54 -46.32 3 3 1 45 230.335 5 ↓
Mid Mid (pH 6-8) 2.05 5.18 -6.28 2 3 0 41 229.327 5 ↓

Analogs

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Popular Name: (1R)-N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-1-phenyl-ethane-1,2-diamine (1R)-N'-[(3,5-dimethyl-1H-pyrazo…

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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) 1.86 6.3 -42.34 3 4 1 45 273.404 6 ↓
Hi High (pH 8-9.5) 1.86 3.97 -5.98 2 4 0 44 272.396 6 ↓
Mid Mid (pH 6-8) 1.86 5.33 -44.24 3 4 1 49 273.404 6 ↓

Analogs

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Popular Name: (1S)-N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-1-phenyl-ethane-1,2-diamine (1S)-N'-[(3,5-dimethyl-1H-pyrazo…

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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) 1.86 7.7 -36.8 3 4 1 45 273.404 6 ↓
Hi High (pH 8-9.5) 1.86 5.27 -5.87 2 4 0 44 272.396 6 ↓
Mid Mid (pH 6-8) 1.86 5.54 -41.71 3 4 1 49 273.404 6 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine 2-(4-chlorophenyl)-N-[(3,5-dimet…

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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) 2.73 7.06 -50.19 3 3 1 45 264.78 5 ↓
Mid Mid (pH 6-8) 2.73 5.7 -6.56 2 3 0 41 263.772 5 ↓

Analogs

37777211
37777211
37777212
37777212

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Popular Name: (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenyl-propan-1-amine (2S)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 2.85 7.07 -45.82 3 3 1 45 244.362 5 ↓
Mid Mid (pH 6-8) 2.85 5.84 -5.88 2 3 0 41 243.354 5 ↓

Analogs

37777211
37777211
37777212
37777212

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Popular Name: (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenyl-propan-1-amine (2R)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 2.85 7.07 -45.93 3 3 1 45 244.362 5 ↓
Mid Mid (pH 6-8) 2.85 5.68 -6.15 2 3 0 41 243.354 5 ↓

Analogs

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Popular Name: (1R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-phenyl-ethanol (1R)-2-[(3,5-dimethyl-1H-pyrazol…

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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 2.12 -7.79 3 4 0 61 245.326 5 ↓
Mid Mid (pH 6-8) 1.06 3.5 -46.94 4 4 1 66 246.334 5 ↓

Analogs

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Popular Name: (1S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-phenyl-ethanol (1S)-2-[(3,5-dimethyl-1H-pyrazol…

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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 2 -7.97 3 4 0 61 245.326 5 ↓
Mid Mid (pH 6-8) 1.06 3.43 -47.06 4 4 1 66 246.334 5 ↓

Analogs

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Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(3-fluorophenyl)ethanamine N-[(3,5-dimethyl-1H-pyrazol-4-yl…

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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) 2.19 5.24 -7.04 2 3 0 41 247.317 5 ↓
Mid Mid (pH 6-8) 2.19 6.61 -49.89 3 3 1 45 248.325 5 ↓

Analogs

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Popular Name: (1S)-1-(4-methoxyphenyl)-N,N-dimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine (1S)-1-(4-methoxyphenyl)-N,N-dim…

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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 4.02 -8.23 1 5 0 42 316.449 7 ↓
Lo Low (pH 4.5-6) 1.99 8.11 -126.24 3 5 2 48 318.465 7 ↓
Lo Low (pH 4.5-6) 1.99 6.05 -45.53 2 5 1 47 317.457 7 ↓

Analogs

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Popular Name: (1R)-1-(4-methoxyphenyl)-N,N-dimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine (1R)-1-(4-methoxyphenyl)-N,N-dim…

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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 5.02 -8.2 1 5 0 42 316.449 7 ↓
Lo Low (pH 4.5-6) 1.99 5.84 -47.51 2 5 1 47 317.457 7 ↓
Lo Low (pH 4.5-6) 1.99 8.09 -125.11 3 5 2 48 318.465 7 ↓

Analogs

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Popular Name: (1R)-2-[[1-(2-hydroxyethyl)-3,5-dimethyl-pyrazol-4-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]eth (1R)-2-[[1-(2-hydroxyethyl)-3,5-…

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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) 1.47 0.64 -9.75 3 6 0 80 373.375 9 ↓
Lo Low (pH 4.5-6) 1.47 2.02 -54.67 4 6 1 84 374.383 9 ↓

Analogs

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Popular Name: (1S)-2-[[1-(2-hydroxyethyl)-3,5-dimethyl-pyrazol-4-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]eth (1S)-2-[[1-(2-hydroxyethyl)-3,5-…

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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) 1.47 0.52 -10.06 3 6 0 80 373.375 9 ↓
Lo Low (pH 4.5-6) 1.47 1.95 -54.75 4 6 1 84 374.383 9 ↓

Analogs

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Popular Name: (1R)-2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol (1R)-2-[(5-chloro-1,3-dimethyl-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) 2.68 3.05 -8.05 2 5 0 59 363.767 7 ↓

Analogs

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Popular Name: (1S)-2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol (1S)-2-[(5-chloro-1,3-dimethyl-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) 2.68 2.94 -7.93 2 5 0 59 363.767 7 ↓

Analogs

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Popular Name: (1R)-2-[(5-chloro-3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]-1-[4-(trifluoromethoxy)phenyl]ethan (1R)-2-[(5-chloro-3-isopropyl-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) 3.74 4.35 -7.51 2 5 0 59 391.821 8 ↓

Analogs

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Popular Name: (1S)-2-[(5-chloro-3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]-1-[4-(trifluoromethoxy)phenyl]ethan (1S)-2-[(5-chloro-3-isopropyl-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) 3.74 4.22 -7.52 2 5 0 59 391.821 8 ↓

Analogs

43469684
43469684
43469686
43469686

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Popular Name: (2S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine (2S)-N-[(1-tert-butylpyrazol-4-y…

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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) 3.36 9.49 -44.73 2 3 1 34 290.406 6 ↓
Mid Mid (pH 6-8) 3.36 8.29 -6.22 1 3 0 30 289.398 6 ↓

Analogs

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Popular Name: (2R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine (2R)-N-[(1-tert-butylpyrazol-4-y…

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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) 3.36 9.49 -43.31 2 3 1 34 290.406 6 ↓
Mid Mid (pH 6-8) 3.36 8.46 -5.61 1 3 0 30 289.398 6 ↓

Analogs

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Popular Name: (1R)-1-(3-fluorophenyl)-2-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methylamino]ethanol (1R)-1-(3-fluorophenyl)-2-[(5-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 1.79 -9.19 2 5 0 59 293.342 6 ↓
Lo Low (pH 4.5-6) 1.23 1.92 -31.93 3 5 1 61 294.35 6 ↓

Analogs

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Popular Name: (1S)-1-(3-fluorophenyl)-2-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methylamino]ethanol (1S)-1-(3-fluorophenyl)-2-[(5-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 1.68 -9 2 5 0 59 293.342 6 ↓
Lo Low (pH 4.5-6) 1.23 1.81 -31.4 3 5 1 61 294.35 6 ↓

Analogs

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Popular Name: (1R)-1-(2-fluorophenyl)-2-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methylamino]ethanol (1R)-1-(2-fluorophenyl)-2-[(5-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.20 1.8 -9.39 2 5 0 59 293.342 6 ↓
Lo Low (pH 4.5-6) 1.20 1.93 -30.66 3 5 1 61 294.35 6 ↓

Analogs

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Popular Name: (1S)-1-(2-fluorophenyl)-2-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methylamino]ethanol (1S)-1-(2-fluorophenyl)-2-[(5-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.20 1.7 -8.74 2 5 0 59 293.342 6 ↓
Lo Low (pH 4.5-6) 1.20 1.83 -29.28 3 5 1 61 294.35 6 ↓

Analogs

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Popular Name: (1R)-1-(4-fluorophenyl)-N'-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methyl]-N,N-dimethyl-ethane-1,2-dia (1R)-1-(4-fluorophenyl)-N'-[(5-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) 2.05 5.99 -46.34 2 5 1 44 321.42 7 ↓
Hi High (pH 8-9.5) 2.05 3.65 -6.85 1 5 0 42 320.412 7 ↓
Mid Mid (pH 6-8) 2.05 7.26 -127.35 3 5 2 48 322.428 7 ↓

Analogs

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Popular Name: (1S)-1-(4-fluorophenyl)-N'-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methyl]-N,N-dimethyl-ethane-1,2-dia (1S)-1-(4-fluorophenyl)-N'-[(5-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) 2.05 7.34 -39.88 2 5 1 44 321.42 7 ↓
Hi High (pH 8-9.5) 2.05 4.99 -6.58 1 5 0 42 320.412 7 ↓
Mid Mid (pH 6-8) 2.05 7.24 -124.59 3 5 2 48 322.428 7 ↓

Analogs

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Popular Name: (1R)-2-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methylamino]-1-(2-methoxyphenyl)ethanol (1R)-2-[(5-methoxy-1,3-dimethyl-…

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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 1.12 -9.42 2 6 0 69 305.378 7 ↓
Lo Low (pH 4.5-6) 1.10 1.25 -30.25 3 6 1 70 306.386 7 ↓
Lo Low (pH 4.5-6) 1.10 2.48 -41.37 3 6 1 73 306.386 7 ↓

Analogs

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Popular Name: (1S)-2-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methylamino]-1-(2-methoxyphenyl)ethanol (1S)-2-[(5-methoxy-1,3-dimethyl-…

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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 1.02 -9.02 2 6 0 69 305.378 7 ↓
Lo Low (pH 4.5-6) 1.10 1.16 -29.66 3 6 1 70 306.386 7 ↓
Lo Low (pH 4.5-6) 1.10 2.43 -41 3 6 1 73 306.386 7 ↓

Analogs

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Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-phenyl-ethanamine N-[(1-ethyl-3,5-dimethyl-pyrazol…

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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) 2.50 8.62 -46.18 2 3 1 34 258.389 6 ↓
Mid Mid (pH 6-8) 2.50 7.26 -7.17 1 3 0 30 257.381 6 ↓

Analogs

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Popular Name: (2S)-2-[(1-allyl-3-methyl-pyrazol-4-yl)methylamino]-3-(4-chlorophenyl)propan-1-ol (2S)-2-[(1-allyl-3-methyl-pyrazo…

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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) 2.58 5.43 -8.01 2 4 0 50 319.836 8 ↓
Lo Low (pH 4.5-6) 2.58 6.7 -43.33 3 4 1 55 320.844 8 ↓

Analogs

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Popular Name: (2R)-2-[(1-allyl-3-methyl-pyrazol-4-yl)methylamino]-3-(4-chlorophenyl)propan-1-ol (2R)-2-[(1-allyl-3-methyl-pyrazo…

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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) 2.58 5.69 -7.33 2 4 0 50 319.836 8 ↓
Lo Low (pH 4.5-6) 2.58 6.7 -43.12 3 4 1 55 320.844 8 ↓

Analogs

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Popular Name: (1R)-2-[(1-tert-butylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol (1R)-2-[(1-tert-butylpyrazol-4-y…

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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 5.88 -50.47 3 4 1 55 292.378 6 ↓
Mid Mid (pH 6-8) 2.04 4.51 -8.36 2 4 0 50 291.37 6 ↓

Analogs

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Popular Name: (1S)-2-[(1-tert-butylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol (1S)-2-[(1-tert-butylpyrazol-4-y…

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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 5.81 -50.69 3 4 1 55 292.378 6 ↓
Mid Mid (pH 6-8) 2.04 4.39 -8.61 2 4 0 50 291.37 6 ↓

Analogs

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Popular Name: (1R)-2-[(5-chloro-3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol (1R)-2-[(5-chloro-3-isopropyl-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) 2.93 4.62 -7.54 2 4 0 50 325.815 6 ↓
Lo Low (pH 4.5-6) 2.93 6.01 -49.46 3 4 1 55 326.823 6 ↓

Analogs

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Popular Name: (1S)-2-[(5-chloro-3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol (1S)-2-[(5-chloro-3-isopropyl-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) 2.93 4.51 -7.61 2 4 0 50 325.815 6 ↓
Lo Low (pH 4.5-6) 2.93 5.93 -49.6 3 4 1 55 326.823 6 ↓

Analogs

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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) 2.39 8.39 -8.84 1 5 0 56 313.401 9 ↓

Analogs

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Popular Name: (1R)-2-[[5-(dimethylamino)-1,3-dimethyl-pyrazol-4-yl]methylamino]-1-(3-fluorophenyl)ethanol (1R)-2-[[5-(dimethylamino)-1,3-d…

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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) 1.27 4.51 -29.87 3 5 1 55 307.393 6 ↓
Hi High (pH 8-9.5) 1.27 4.4 -8.68 2 5 0 53 306.385 6 ↓
Lo Low (pH 4.5-6) 1.27 5.98 -104.23 4 5 2 59 308.401 6 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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