In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | Yes |
Popular Name: (2S)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]octan-1-amine (2S)-2-[(4aS,8aS)-2,3,4a,5,6,7,8…
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) | 3.32 | 5.12 | -44.57 | 3 | 3 | 1 | 40 | 269.453 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.32 | 6.61 | -125.79 | 4 | 3 | 2 | 41 | 270.461 | 7 | ↓ |