| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 24th, 2008 | 18 | Yes |
Popular Name: (1R,2S)-3-methyl-2-(2-methylimidazol-1-yl)-1-phenyl-butan-1-amine (1R,2S)-3-methyl-2-(2-methylimid…
| 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) | 0.31 | 7.5 | -105.67 | 4 | 3 | 2 | 47 | 245.37 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.31 | 8.13 | -6.27 | 2 | 3 | 0 | 44 | 243.354 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 8.17 | -57.84 | 3 | 3 | 1 | 45 | 244.362 | 4 | ↓ |
