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Analogs

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

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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 2.07 -7.08 1 4 0 55 270.21 4 ↓

Analogs

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

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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 1.91 -6.71 1 4 0 55 270.21 4 ↓

Analogs

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

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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) 2.38 2.49 -55.06 3 4 1 63 270.234 4 ↓
Mid Mid (pH 6-8) 2.38 2.18 -6.58 2 4 0 61 269.226 4 ↓

Analogs

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

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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) 2.38 2.41 -50.07 3 4 1 63 270.234 4 ↓
Mid Mid (pH 6-8) 2.38 2.07 -5.96 2 4 0 61 269.226 4 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethoxy)phenyl]methanamine (1S)-N-methyl-1-pyrazin-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) 2.75 4.32 -42.45 2 4 1 52 284.261 5 ↓
Mid Mid (pH 6-8) 2.75 3.47 -5.58 1 4 0 47 283.253 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethoxy)phenyl]methanamine (1R)-N-methyl-1-pyrazin-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) 2.75 4.53 -43.03 2 4 1 52 284.261 5 ↓
Mid Mid (pH 6-8) 2.75 3.04 -6.68 1 4 0 47 283.253 5 ↓

Analogs

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

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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) 3.13 5.14 -40.76 2 4 1 52 298.288 6 ↓
Hi High (pH 8-9.5) 3.13 4.37 -5.2 1 4 0 47 297.28 6 ↓

Analogs

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

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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) 3.13 5.38 -41.21 2 4 1 52 298.288 6 ↓
Hi High (pH 8-9.5) 3.13 3.96 -6.53 1 4 0 47 297.28 6 ↓

Analogs

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Popular Name: (S)-(2-fluorophenyl)-pyrazin-2-yl-methanol (S)-(2-fluorophenyl)-pyrazin-2-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) 1.51 2.43 -8.15 1 3 0 46 204.204 2 ↓

Analogs

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Popular Name: (R)-(2-fluorophenyl)-pyrazin-2-yl-methanol (R)-(2-fluorophenyl)-pyrazin-2-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) 1.51 2.17 -7.15 1 3 0 46 204.204 2 ↓

Analogs

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Popular Name: (S)-(2-fluorophenyl)-pyrazin-2-yl-methanamine (S)-(2-fluorophenyl)-pyrazin-2-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) 1.55 2.84 -51.86 3 3 1 53 204.228 2 ↓
Mid Mid (pH 6-8) 1.55 2.54 -7.61 2 3 0 52 203.22 2 ↓

Analogs

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Popular Name: (R)-(2-fluorophenyl)-pyrazin-2-yl-methanamine (R)-(2-fluorophenyl)-pyrazin-2-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) 1.55 2.63 -45.71 3 3 1 53 204.228 2 ↓
Mid Mid (pH 6-8) 1.55 2.3 -6.65 2 3 0 52 203.22 2 ↓

Analogs

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Popular Name: (1S)-1-(2-fluorophenyl)-N-methyl-1-pyrazin-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) 1.92 4.45 -37.71 2 3 1 42 218.255 3 ↓
Mid Mid (pH 6-8) 1.92 3.67 -6.96 1 3 0 38 217.247 3 ↓

Analogs

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Popular Name: (1R)-1-(2-fluorophenyl)-N-methyl-1-pyrazin-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) 1.92 4.76 -38.79 2 3 1 42 218.255 3 ↓
Mid Mid (pH 6-8) 1.92 3.41 -5.91 1 3 0 38 217.247 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.30 5.28 -35.47 2 3 1 42 232.282 4 ↓
Mid Mid (pH 6-8) 2.30 4.57 -6.63 1 3 0 38 231.274 4 ↓

Analogs

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

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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) 2.30 5.59 -36.58 2 3 1 42 232.282 4 ↓
Mid Mid (pH 6-8) 2.30 4.32 -5.63 1 3 0 38 231.274 4 ↓

Analogs

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

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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 6.04 -35.9 2 3 1 42 246.309 5 ↓
Mid Mid (pH 6-8) 2.80 5.33 -6.53 1 3 0 38 245.301 5 ↓

Analogs

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

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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 6.34 -37.16 2 3 1 42 246.309 5 ↓
Mid Mid (pH 6-8) 2.80 5.08 -5.51 1 3 0 38 245.301 5 ↓

Analogs

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

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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) 2.21 3.85 -6.19 1 3 0 46 214.268 2 ↓

Analogs

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

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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) 2.21 3.17 -6.44 1 3 0 46 214.268 2 ↓

Analogs

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

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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) 2.26 4.26 -49.68 3 3 1 53 214.292 2 ↓
Mid Mid (pH 6-8) 2.26 3.95 -5.89 2 3 0 52 213.284 2 ↓

Analogs

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

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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) 2.26 3.55 -45.04 3 3 1 53 214.292 2 ↓
Mid Mid (pH 6-8) 2.26 3.24 -5.78 2 3 0 52 213.284 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dimethylphenyl)-N-methyl-1-pyrazin-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) 2.63 6.06 -42.79 2 3 1 42 228.319 3 ↓
Hi High (pH 8-9.5) 2.63 4.8 -5.48 1 3 0 38 227.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dimethylphenyl)-N-methyl-1-pyrazin-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) 2.63 5.38 -39.53 2 3 1 42 228.319 3 ↓
Hi High (pH 8-9.5) 2.63 4.28 -5.91 1 3 0 38 227.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.01 6.34 -35.02 2 3 1 42 242.346 4 ↓
Hi High (pH 8-9.5) 3.01 6.01 -4.75 1 3 0 38 241.338 4 ↓

Analogs

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

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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) 3.01 6.54 -36.28 2 3 1 42 242.346 4 ↓
Hi High (pH 8-9.5) 3.01 5.49 -5.53 1 3 0 38 241.338 4 ↓

Analogs

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

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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) 3.51 7.28 -35.89 2 3 1 42 256.373 5 ↓
Hi High (pH 8-9.5) 3.51 6.77 -4.69 1 3 0 38 255.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.51 7.29 -36.79 2 3 1 42 256.373 5 ↓
Hi High (pH 8-9.5) 3.51 6.24 -5.42 1 3 0 38 255.365 5 ↓

Analogs

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

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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) 2.21 3.51 -6.6 1 3 0 46 214.268 2 ↓

Analogs

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

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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) 2.21 3.33 -6.55 1 3 0 46 214.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dimethylphenyl)-N-methyl-1-pyrazin-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) 2.63 5.78 -42.55 2 3 1 42 228.319 3 ↓
Hi High (pH 8-9.5) 2.63 4.32 -5.86 1 3 0 38 227.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-dimethylphenyl)-N-methyl-1-pyrazin-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) 2.63 5.6 -39.33 2 3 1 42 228.319 3 ↓
Hi High (pH 8-9.5) 2.63 4.42 -5.82 1 3 0 38 227.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.01 6.56 -36.04 2 3 1 42 242.346 4 ↓
Hi High (pH 8-9.5) 3.01 5.79 -5.07 1 3 0 38 241.338 4 ↓

Analogs

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

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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) 3.01 6.8 -36.35 2 3 1 42 242.346 4 ↓
Hi High (pH 8-9.5) 3.01 5.38 -5.58 1 3 0 38 241.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.51 7.55 -36.93 2 3 1 42 256.373 5 ↓
Hi High (pH 8-9.5) 3.51 6.28 -4.88 1 3 0 38 255.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.51 7.56 -36.88 2 3 1 42 256.373 5 ↓
Hi High (pH 8-9.5) 3.51 6.17 -5.28 1 3 0 38 255.365 5 ↓

Analogs

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

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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 3.73 -6.34 1 3 0 46 214.268 2 ↓

Analogs

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

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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 3.04 -6.53 1 3 0 46 214.268 2 ↓

Analogs

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

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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 4.14 -49.53 3 3 1 53 214.292 2 ↓
Mid Mid (pH 6-8) 2.23 3.9 -5.42 2 3 0 52 213.284 2 ↓

Analogs

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

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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 3.44 -45.06 3 3 1 53 214.292 2 ↓
Mid Mid (pH 6-8) 2.23 3.13 -5.79 2 3 0 52 213.284 2 ↓

Analogs

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Popular Name: (1S)-1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-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) 2.61 5.93 -42.73 2 3 1 42 228.319 3 ↓
Hi High (pH 8-9.5) 2.61 4.68 -5.56 1 3 0 38 227.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-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) 2.61 5.27 -39.59 2 3 1 42 228.319 3 ↓
Hi High (pH 8-9.5) 2.61 4.15 -5.96 1 3 0 38 227.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 6.25 -35.11 2 3 1 42 242.346 4 ↓
Hi High (pH 8-9.5) 2.98 5.9 -4.86 1 3 0 38 241.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 6.43 -36.38 2 3 1 42 242.346 4 ↓
Hi High (pH 8-9.5) 2.98 5.39 -5.58 1 3 0 38 241.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.49 7.17 -36.14 2 3 1 42 256.373 5 ↓
Hi High (pH 8-9.5) 3.49 6.77 -4.77 1 3 0 38 255.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.49 7.18 -36.91 2 3 1 42 256.373 5 ↓
Hi High (pH 8-9.5) 3.49 6.16 -5.45 1 3 0 38 255.365 5 ↓

Analogs

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

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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) 3.10 4.61 -6.06 1 3 0 46 242.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-tert-butylphenyl)-pyrazin-2-yl-methanol (R)-(4-tert-butylphenyl)-pyrazin…

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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) 3.10 4.43 -6.07 1 3 0 46 242.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-yl-methanamine (1S)-1-(4-tert-butylphenyl)-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) 3.51 6.88 -42.66 2 3 1 42 256.373 4 ↓
Hi High (pH 8-9.5) 3.51 5.42 -5.29 1 3 0 38 255.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-yl-methanamine (1R)-1-(4-tert-butylphenyl)-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) 3.51 6.7 -39.4 2 3 1 42 256.373 4 ↓
Hi High (pH 8-9.5) 3.51 5.52 -5.28 1 3 0 38 255.365 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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