| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 22nd, 2010 | 20 | Yes |
Popular Name: (2R)-2-benzyl-3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-propanenitrile (2R)-2-benzyl-3-(4-methyl-1,4-di…
| 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) | 1.79 | 9.16 | -45.35 | 1 | 4 | 1 | 49 | 272.372 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 7.31 | -9.03 | 0 | 4 | 0 | 47 | 271.364 | 3 | ↓ |
