In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 15 | Yes |
Popular Name: (3R)-3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]butan-1-amine (3R)-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) | 0.98 | 1.29 | -45.39 | 3 | 3 | 1 | 40 | 213.345 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.98 | 3.36 | -106.16 | 4 | 3 | 2 | 41 | 214.353 | 3 | ↓ |