In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2011 | 19 | No |
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) | 5.14 | 12.48 | -17.35 | 0 | 2 | 0 | 34 | 325.246 | 9 | ↓ |
Hi High (pH 8-9.5) | 5.89 | 11.38 | -50.55 | 0 | 2 | -1 | 40 | 324.238 | 8 | ↓ |