| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 17 | Yes |
Popular Name: 3-[isobutyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanenitrile 3-[isobutyl-[2-(2-methylimidazol…
| 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) | 0.69 | 9.55 | -110.8 | 2 | 4 | 2 | 47 | 236.363 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 9.08 | -61.21 | 1 | 4 | 1 | 46 | 235.355 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 7.38 | -11.47 | 0 | 4 | 0 | 45 | 234.347 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 7.85 | -37.49 | 1 | 4 | 1 | 46 | 235.355 | 7 | ↓ |
