In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2011 | 18 | 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) | 5.24 | 8.03 | -41.48 | 3 | 2 | 1 | 37 | 270.824 | 9 | ↓ |
Hi High (pH 8-9.5) | 5.24 | 7.6 | -2.9 | 2 | 2 | 0 | 35 | 269.816 | 9 | ↓ |