In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | Yes |
Popular Name: 3-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethoxy]aniline 3-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8…
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) | 2.31 | 3.6 | -5.32 | 2 | 4 | 0 | 48 | 276.38 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 5.8 | -35.47 | 3 | 4 | 1 | 49 | 277.388 | 4 | ↓ |