| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 18 | Yes |
Popular Name: [(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]diazepin-2-yl]-phenyl-methanone [(9aS)-1,3,4,5,7,8,9,9a-octahydr…
| 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) | 1.46 | 8.15 | -41.23 | 1 | 3 | 1 | 25 | 245.346 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 6.8 | -7.63 | 0 | 3 | 0 | 24 | 244.338 | 1 | ↓ |
