In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 16 | No |
Popular Name: 1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]butane-1,3-dione 1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-o…
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) | 0.71 | 5.71 | -15.87 | 0 | 4 | 0 | 47 | 225.288 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.46 | 4.59 | -50.92 | 0 | 4 | -1 | 53 | 224.28 | 1 | ↓ |