In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2011 | 15 | 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) | 2.81 | 7.51 | -30.92 | 1 | 2 | 1 | 14 | 226.727 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 5.05 | -3.13 | 0 | 2 | 0 | 12 | 225.719 | 3 | ↓ |