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Analogs

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Popular Name: (S)-pyrimidin-2-yl-[3-(trifluoromethoxy)phenyl]methanol (S)-pyrimidin-2-yl-[3-(trifluoro…

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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 2.85 -7.11 1 4 0 55 270.21 4 ↓

Analogs

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Popular Name: (R)-pyrimidin-2-yl-[3-(trifluoromethoxy)phenyl]methanol (R)-pyrimidin-2-yl-[3-(trifluoro…

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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 2.88 -7.16 1 4 0 55 270.21 4 ↓

Analogs

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Popular Name: (S)-pyrimidin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine (S)-pyrimidin-2-yl-[3-(trifluoro…

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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) 1.81 2.97 -6.48 2 4 0 61 269.226 4 ↓
Mid Mid (pH 6-8) 1.81 3.3 -43.78 3 4 1 63 270.234 4 ↓

Analogs

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Popular Name: (R)-pyrimidin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine (R)-pyrimidin-2-yl-[3-(trifluoro…

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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) 1.81 2.96 -5.93 2 4 0 61 269.226 4 ↓
Mid Mid (pH 6-8) 1.81 3.3 -43.82 3 4 1 63 270.234 4 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-pyrimidin-2-yl-1-[3-(trifluoromethoxy)phenyl]methanamine (1S)-N-methyl-1-pyrimidin-2-yl-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) 2.18 3.77 -6.08 1 4 0 47 283.253 5 ↓
Mid Mid (pH 6-8) 2.18 5.01 -38.15 2 4 1 52 284.261 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-pyrimidin-2-yl-1-[3-(trifluoromethoxy)phenyl]methanamine (1R)-N-methyl-1-pyrimidin-2-yl-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) 2.18 3.81 -5.77 1 4 0 47 283.253 5 ↓
Mid Mid (pH 6-8) 2.18 4.85 -38.71 2 4 1 52 284.261 5 ↓

Analogs

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Popular Name: N-[(S)-pyrimidin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine N-[(S)-pyrimidin-2-yl-[3-(triflu…

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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) 2.56 5.85 -36.11 2 4 1 52 298.288 6 ↓
Mid Mid (pH 6-8) 2.56 4.69 -5.84 1 4 0 47 297.28 6 ↓

Analogs

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Popular Name: N-[(R)-pyrimidin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine N-[(R)-pyrimidin-2-yl-[3-(triflu…

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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) 2.56 5.68 -36.64 2 4 1 52 298.288 6 ↓
Mid Mid (pH 6-8) 2.56 4.74 -5.6 1 4 0 47 297.28 6 ↓

Analogs

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Popular Name: 2-[(2,4-difluorophenyl)methyl]pyrimidin-5-amine 2-[(2,4-difluorophenyl)methyl]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) 1.96 4.13 -7.61 2 3 0 52 221.21 2 ↓

Analogs

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Popular Name: (S)-(2-fluorophenyl)-pyrimidin-2-yl-methanol (S)-(2-fluorophenyl)-pyrimidin-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) 0.94 3.15 -9.18 1 3 0 46 204.204 2 ↓

Analogs

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Popular Name: (R)-(2-fluorophenyl)-pyrimidin-2-yl-methanol (R)-(2-fluorophenyl)-pyrimidin-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) 0.94 3.15 -9.16 1 3 0 46 204.204 2 ↓

Analogs

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Popular Name: (S)-(2-fluorophenyl)-pyrimidin-2-yl-methanamine (S)-(2-fluorophenyl)-pyrimidin-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) 0.98 3.27 -7.78 2 3 0 52 203.22 2 ↓
Mid Mid (pH 6-8) 0.98 3.6 -41.19 3 3 1 53 204.228 2 ↓

Analogs

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Popular Name: (R)-(2-fluorophenyl)-pyrimidin-2-yl-methanamine (R)-(2-fluorophenyl)-pyrimidin-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) 0.98 3.28 -8.61 2 3 0 52 203.22 2 ↓
Mid Mid (pH 6-8) 0.98 3.59 -41.72 3 3 1 53 204.228 2 ↓

Analogs

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Popular Name: (1S)-1-(2-fluorophenyl)-N-methyl-1-pyrimidin-2-yl-methanamine (1S)-1-(2-fluorophenyl)-N-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) 1.35 4.11 -8.5 1 3 0 38 217.247 3 ↓
Mid Mid (pH 6-8) 1.35 5.22 -35.92 2 3 1 42 218.255 3 ↓

Analogs

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Popular Name: (1R)-1-(2-fluorophenyl)-N-methyl-1-pyrimidin-2-yl-methanamine (1R)-1-(2-fluorophenyl)-N-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) 1.35 4.29 -7.75 1 3 0 38 217.247 3 ↓
Mid Mid (pH 6-8) 1.35 5.21 -36.92 2 3 1 42 218.255 3 ↓

Analogs

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Popular Name: N-[(S)-(2-fluorophenyl)-pyrimidin-2-yl-methyl]ethanamine N-[(S)-(2-fluorophenyl)-pyrimidi…

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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 5.03 -8.29 1 3 0 38 231.274 4 ↓
Mid Mid (pH 6-8) 1.73 6.06 -33.46 2 3 1 42 232.282 4 ↓

Analogs

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Popular Name: N-[(R)-(2-fluorophenyl)-pyrimidin-2-yl-methyl]ethanamine N-[(R)-(2-fluorophenyl)-pyrimidi…

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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 5.2 -7.5 1 3 0 38 231.274 4 ↓
Mid Mid (pH 6-8) 1.73 6.04 -34.56 2 3 1 42 232.282 4 ↓

Analogs

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Popular Name: N-[(S)-(2-fluorophenyl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(S)-(2-fluorophenyl)-pyrimidi…

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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) 2.23 6.82 -33.92 2 3 1 42 246.309 5 ↓
Mid Mid (pH 6-8) 2.23 5.83 -8.27 1 3 0 38 245.301 5 ↓

Analogs

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Popular Name: N-[(R)-(2-fluorophenyl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(R)-(2-fluorophenyl)-pyrimidi…

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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) 2.23 6.78 -34.31 2 3 1 42 246.309 5 ↓
Mid Mid (pH 6-8) 2.23 6.14 -7.5 1 3 0 38 245.301 5 ↓

Analogs

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Popular Name: (S)-(2,5-dimethylphenyl)-pyrimidin-2-yl-methanol (S)-(2,5-dimethylphenyl)-pyrimid…

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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 4.31 -7.13 1 3 0 46 214.268 2 ↓

Analogs

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Popular Name: (R)-(2,5-dimethylphenyl)-pyrimidin-2-yl-methanol (R)-(2,5-dimethylphenyl)-pyrimid…

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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 4.55 -7.15 1 3 0 46 214.268 2 ↓

Analogs

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Popular Name: (S)-(2,5-dimethylphenyl)-pyrimidin-2-yl-methanamine (S)-(2,5-dimethylphenyl)-pyrimid…

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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) 1.69 4.41 -6.43 2 3 0 52 213.284 2 ↓
Mid Mid (pH 6-8) 1.69 4.75 -39.17 3 3 1 53 214.292 2 ↓

Analogs

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Popular Name: (R)-(2,5-dimethylphenyl)-pyrimidin-2-yl-methanamine (R)-(2,5-dimethylphenyl)-pyrimid…

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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) 1.69 4.69 -5.97 2 3 0 52 213.284 2 ↓
Mid Mid (pH 6-8) 1.69 5.01 -39.44 3 3 1 53 214.292 2 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dimethylphenyl)-N-methyl-1-pyrimidin-2-yl-methanamine (1S)-1-(2,5-dimethylphenyl)-N-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) 2.06 6.38 -33.93 2 3 1 42 228.319 3 ↓
Mid Mid (pH 6-8) 2.06 5.45 -6.21 1 3 0 38 227.311 3 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dimethylphenyl)-N-methyl-1-pyrimidin-2-yl-methanamine (1R)-1-(2,5-dimethylphenyl)-N-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) 2.06 6.62 -34.62 2 3 1 42 228.319 3 ↓
Mid Mid (pH 6-8) 2.06 5.45 -6.6 1 3 0 38 227.311 3 ↓

Analogs

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Popular Name: N-[(S)-(2,5-dimethylphenyl)-pyrimidin-2-yl-methyl]ethanamine N-[(S)-(2,5-dimethylphenyl)-pyri…

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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) 2.44 7.45 -31.65 2 3 1 42 242.346 4 ↓
Mid Mid (pH 6-8) 2.44 6.37 -6.3 1 3 0 38 241.338 4 ↓

Analogs

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Popular Name: N-[(R)-(2,5-dimethylphenyl)-pyrimidin-2-yl-methyl]ethanamine N-[(R)-(2,5-dimethylphenyl)-pyri…

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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) 2.44 7.21 -32.44 2 3 1 42 242.346 4 ↓
Mid Mid (pH 6-8) 2.44 6.35 -5.93 1 3 0 38 241.338 4 ↓

Analogs

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Popular Name: N-[(S)-(2,5-dimethylphenyl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(S)-(2,5-dimethylphenyl)-pyri…

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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) 2.94 8.21 -32.11 2 3 1 42 256.373 5 ↓
Mid Mid (pH 6-8) 2.94 7.06 -6.05 1 3 0 38 255.365 5 ↓

Analogs

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Popular Name: N-[(R)-(2,5-dimethylphenyl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(R)-(2,5-dimethylphenyl)-pyri…

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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) 2.94 7.94 -32.27 2 3 1 42 256.373 5 ↓
Mid Mid (pH 6-8) 2.94 7.2 -5.78 1 3 0 38 255.365 5 ↓

Analogs

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Popular Name: (S)-(3,4-dimethylphenyl)-pyrimidin-2-yl-methanol (S)-(3,4-dimethylphenyl)-pyrimid…

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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 4.29 -7.46 1 3 0 46 214.268 2 ↓

Analogs

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Popular Name: (R)-(3,4-dimethylphenyl)-pyrimidin-2-yl-methanol (R)-(3,4-dimethylphenyl)-pyrimid…

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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 4.3 -7.45 1 3 0 46 214.268 2 ↓

Analogs

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Popular Name: (S)-(3,4-dimethylphenyl)-pyrimidin-2-yl-methanamine (S)-(3,4-dimethylphenyl)-pyrimid…

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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) 1.69 4.74 -38.73 3 3 1 53 214.292 2 ↓
Mid Mid (pH 6-8) 1.69 4.41 -6.37 2 3 0 52 213.284 2 ↓

Analogs

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Popular Name: (R)-(3,4-dimethylphenyl)-pyrimidin-2-yl-methanamine (R)-(3,4-dimethylphenyl)-pyrimid…

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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) 1.69 4.74 -38.77 3 3 1 53 214.292 2 ↓
Mid Mid (pH 6-8) 1.69 4.4 -6.69 2 3 0 52 213.284 2 ↓

Analogs

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Popular Name: (1S)-1-(3,4-dimethylphenyl)-N-methyl-1-pyrimidin-2-yl-methanamine (1S)-1-(3,4-dimethylphenyl)-N-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) 2.06 6.45 -33.64 2 3 1 42 228.319 3 ↓
Mid Mid (pH 6-8) 2.06 5.24 -6.62 1 3 0 38 227.311 3 ↓

Analogs

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Popular Name: (1R)-1-(3,4-dimethylphenyl)-N-methyl-1-pyrimidin-2-yl-methanamine (1R)-1-(3,4-dimethylphenyl)-N-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) 2.06 6.27 -34.02 2 3 1 42 228.319 3 ↓
Mid Mid (pH 6-8) 2.06 5.23 -6.75 1 3 0 38 227.311 3 ↓

Analogs

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Popular Name: N-[(S)-(3,4-dimethylphenyl)-pyrimidin-2-yl-methyl]ethanamine N-[(S)-(3,4-dimethylphenyl)-pyri…

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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) 2.44 7.27 -31.72 2 3 1 42 242.346 4 ↓
Mid Mid (pH 6-8) 2.44 6.1 -6.48 1 3 0 38 241.338 4 ↓

Analogs

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Popular Name: N-[(R)-(3,4-dimethylphenyl)-pyrimidin-2-yl-methyl]ethanamine N-[(R)-(3,4-dimethylphenyl)-pyri…

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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) 2.44 7.1 -32 2 3 1 42 242.346 4 ↓
Mid Mid (pH 6-8) 2.44 6.16 -6.38 1 3 0 38 241.338 4 ↓

Analogs

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Popular Name: N-[(S)-(3,4-dimethylphenyl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(S)-(3,4-dimethylphenyl)-pyri…

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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) 2.94 7.85 -32.43 2 3 1 42 256.373 5 ↓
Mid Mid (pH 6-8) 2.94 6.92 -6.41 1 3 0 38 255.365 5 ↓

Analogs

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Popular Name: N-[(R)-(3,4-dimethylphenyl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(R)-(3,4-dimethylphenyl)-pyri…

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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) 2.94 7.85 -32.43 2 3 1 42 256.373 5 ↓
Mid Mid (pH 6-8) 2.94 7.08 -6.12 1 3 0 38 255.365 5 ↓

Analogs

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Popular Name: (S)-(2,3-dimethylphenyl)-pyrimidin-2-yl-methanol (S)-(2,3-dimethylphenyl)-pyrimid…

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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) 1.62 4.21 -7.2 1 3 0 46 214.268 2 ↓

Analogs

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Popular Name: (R)-(2,3-dimethylphenyl)-pyrimidin-2-yl-methanol (R)-(2,3-dimethylphenyl)-pyrimid…

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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) 1.62 4.44 -7.25 1 3 0 46 214.268 2 ↓

Analogs

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Popular Name: (S)-(2,3-dimethylphenyl)-pyrimidin-2-yl-methanamine (S)-(2,3-dimethylphenyl)-pyrimid…

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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) 1.66 4.32 -6.06 2 3 0 52 213.284 2 ↓
Mid Mid (pH 6-8) 1.66 4.65 -39.17 3 3 1 53 214.292 2 ↓

Analogs

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Popular Name: (R)-(2,3-dimethylphenyl)-pyrimidin-2-yl-methanamine (R)-(2,3-dimethylphenyl)-pyrimid…

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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) 1.66 4.58 -6.53 2 3 0 52 213.284 2 ↓
Mid Mid (pH 6-8) 1.66 4.9 -39.46 3 3 1 53 214.292 2 ↓

Analogs

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Popular Name: (1S)-1-(2,3-dimethylphenyl)-N-methyl-1-pyrimidin-2-yl-methanamine (1S)-1-(2,3-dimethylphenyl)-N-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) 2.04 6.27 -33.93 2 3 1 42 228.319 3 ↓
Mid Mid (pH 6-8) 2.04 5.35 -6.27 1 3 0 38 227.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,3-dimethylphenyl)-N-methyl-1-pyrimidin-2-yl-methanamine (1R)-1-(2,3-dimethylphenyl)-N-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) 2.04 6.51 -34.68 2 3 1 42 228.319 3 ↓
Mid Mid (pH 6-8) 2.04 5.35 -6.62 1 3 0 38 227.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2,3-dimethylphenyl)-pyrimidin-2-yl-methyl]ethanamine N-[(S)-(2,3-dimethylphenyl)-pyri…

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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) 2.41 7.33 -31.72 2 3 1 42 242.346 4 ↓
Mid Mid (pH 6-8) 2.41 6.26 -6.32 1 3 0 38 241.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2,3-dimethylphenyl)-pyrimidin-2-yl-methyl]ethanamine N-[(R)-(2,3-dimethylphenyl)-pyri…

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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) 2.41 7.1 -32.51 2 3 1 42 242.346 4 ↓
Mid Mid (pH 6-8) 2.41 6.26 -5.96 1 3 0 38 241.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2,3-dimethylphenyl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(S)-(2,3-dimethylphenyl)-pyri…

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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) 2.92 8.04 -32.64 2 3 1 42 256.373 5 ↓
Mid Mid (pH 6-8) 2.92 7.11 -6.21 1 3 0 38 255.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2,3-dimethylphenyl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(R)-(2,3-dimethylphenyl)-pyri…

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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) 2.92 7.85 -33 2 3 1 42 256.373 5 ↓
Mid Mid (pH 6-8) 2.92 7.21 -5.72 1 3 0 38 255.365 5 ↓

Analogs

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Popular Name: (S)-(4-tert-butylphenyl)-pyrimidin-2-yl-methanol (S)-(4-tert-butylphenyl)-pyrimid…

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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 5.39 -6.82 1 3 0 46 242.322 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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