In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 15 | Yes |
Popular Name: (3S)-3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]butan-2-one (3S)-3-[(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) | 1.45 | 3.49 | -6.39 | 0 | 3 | 0 | 30 | 211.305 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.45 | 5.6 | -31.32 | 1 | 3 | 1 | 31 | 212.313 | 2 | ↓ |