In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 15 | Yes |
Popular Name: (2R)-1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-amino-propan-2-ol (2R)-1-[(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) | -0.26 | -1.63 | -45.88 | 4 | 4 | 1 | 60 | 215.317 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.26 | -2.02 | -3.98 | 3 | 4 | 0 | 59 | 214.309 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.26 | 0.59 | -107.55 | 5 | 4 | 2 | 62 | 216.325 | 3 | ↓ |