| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2011 | 20 | Yes |
Popular Name: (9aR)-2-[2-(4-bromophenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aR)-2-[2-(4-bromophenoxy)ethyl…
| 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) | 3.38 | 8.66 | -31.58 | 1 | 3 | 1 | 17 | 340.285 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 7.09 | -3.42 | 0 | 3 | 0 | 16 | 339.277 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.38 | 10.59 | -108.17 | 2 | 3 | 2 | 18 | 341.293 | 4 | ↓ |
