| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2009 | 30 | Yes |
Popular Name: N-[6-[4-[(2S)-2-hydroxybutyl]-1,4-diazepan-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide N-[6-[4-[(2S)-2-hydroxybutyl]-1,…
| 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) | 2.49 | 7.08 | -46.09 | 3 | 8 | 1 | 88 | 413.498 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.49 | 7.41 | -102.36 | 4 | 8 | 2 | 90 | 414.506 | 6 | ↓ |
