In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: 5-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]-1H-pyridin-2-one 5-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-…
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) | 1.08 | 1.49 | -13.57 | 1 | 6 | 0 | 79 | 298.364 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.54 | -0.56 | -45.53 | 0 | 6 | -1 | 83 | 297.356 | 2 | ↓ |