| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 24 | Yes |
Popular Name: 4-[4-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-1,4-diazepan-1-yl]benzonitrile 4-[4-[(1S)-1-methyl-2-oxo-2-pyrr…
| 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) | 2.04 | 10.05 | -44.28 | 1 | 5 | 1 | 52 | 327.452 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 8.27 | -10.75 | 0 | 5 | 0 | 51 | 326.444 | 3 | ↓ |
