In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 18 | Yes |
Popular Name: [(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-[(2S)-2-piperidyl]methanone [(4aS,8aR)-2,3,4a,5,6,7,8,8a-oct…
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) | 1.58 | 4.79 | -38.45 | 2 | 4 | 1 | 46 | 253.366 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 3.63 | -7.78 | 1 | 4 | 0 | 42 | 252.358 | 1 | ↓ |