In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | Yes |
Popular Name: 4-[3-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]propoxy]aniline 4-[3-[(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) | 2.60 | 4.23 | -5.03 | 2 | 4 | 0 | 48 | 290.407 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.60 | 6.42 | -38.87 | 3 | 4 | 1 | 49 | 291.415 | 5 | ↓ |