| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2010 | 18 | Yes |
Popular Name: (9aR)-2-[(3-bromophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aR)-2-[(3-bromophenyl)methyl]-…
| 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) | 3.08 | 9.04 | -37.18 | 1 | 2 | 1 | 8 | 310.259 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 7.1 | -2.92 | 0 | 2 | 0 | 6 | 309.251 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 8.66 | -31.51 | 1 | 2 | 1 | 8 | 310.259 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 10.59 | -108.86 | 2 | 2 | 2 | 9 | 311.267 | 2 | ↓ |
