In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2006 | 13 | 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) | -0.79 | 3.09 | -81.04 | 2 | 5 | 0 | 74 | 186.211 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.79 | 0.56 | -63.22 | 1 | 5 | -1 | 72 | 185.203 | 5 | ↓ |