| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 15 | Yes |
Popular Name: (2R)-3-[3-imidazol-1-ylpropyl(methyl)amino]-2-methyl-propanenitrile (2R)-3-[3-imidazol-1-ylpropyl(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) | 0.83 | 9.01 | -97.7 | 2 | 4 | 2 | 47 | 208.309 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 6.43 | -12.74 | 0 | 4 | 0 | 45 | 206.293 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 8.5 | -54.11 | 1 | 4 | 1 | 46 | 207.301 | 6 | ↓ |
