In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | Yes |
Popular Name: 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-(4-bromophenyl)ethanone 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-o…
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) | 3.53 | 6.75 | -6.79 | 0 | 3 | 0 | 30 | 338.245 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.53 | 8.89 | -40.67 | 1 | 3 | 1 | 31 | 339.253 | 3 | ↓ |