| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 15 | Yes |
Popular Name: (2S)-2-methyl-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanenitrile (2S)-2-methyl-3-[methyl-[2-(2-me…
| 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) | 0.64 | 7.96 | -101.18 | 2 | 4 | 2 | 47 | 208.309 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 7.48 | -54.65 | 1 | 4 | 1 | 46 | 207.301 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 5.63 | -11.01 | 0 | 4 | 0 | 45 | 206.293 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 6.1 | -35.61 | 1 | 4 | 1 | 46 | 207.301 | 5 | ↓ |
