In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2009 | 18 | Yes |
Popular Name: [(1S,6S,7R,8R,8aS)-6,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] [(1S,6S,7R,8R,8aS)-6,7,8-trihydr…
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) | -0.42 | -0.89 | -39.73 | 4 | 6 | 1 | 91 | 260.31 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.42 | -3.32 | -8.23 | 3 | 6 | 0 | 90 | 259.302 | 4 | ↓ |