| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 13 | Yes |
Popular Name: (2S)-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine (2S)-3-methyl-N-[(1-methylimidaz…
| 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) | 1.11 | 5.93 | -101.32 | 3 | 3 | 2 | 36 | 183.299 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 4.27 | -5.55 | 1 | 3 | 0 | 30 | 181.283 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 5.47 | -37.7 | 2 | 3 | 1 | 34 | 182.291 | 4 | ↓ |
