In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 35 | 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) | 5.74 | 8.67 | -60.05 | 2 | 6 | -1 | 101 | 499.027 | 8 | ↓ |
Lo Low (pH 4.5-6) | 5.74 | 7.9 | -14.37 | 3 | 6 | 0 | 98 | 500.035 | 8 | ↓ |