In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 17 | Yes |
Popular Name: (4aS,8aS)-4-[[(3R)-3-piperidyl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-[[(3R)-3-piperidyl]m…
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) | 1.78 | 4.32 | -39.15 | 2 | 3 | 1 | 29 | 239.383 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.78 | 6.2 | -106.45 | 3 | 3 | 2 | 30 | 240.391 | 2 | ↓ |