In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 34 | Yes |
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) | 6.21 | 13.52 | -20.86 | 1 | 6 | 0 | 75 | 499.08 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.39 | 12.45 | -49.79 | 0 | 6 | -1 | 82 | 498.072 | 9 | ↓ |