In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 34 | 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) | 6.17 | 11.14 | -56.93 | 1 | 5 | -1 | 78 | 474.964 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.17 | 10.37 | -13.41 | 2 | 5 | 0 | 76 | 475.972 | 7 | ↓ |