In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 30 | 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) | 3.81 | 9.31 | -13.57 | 1 | 7 | 0 | 80 | 425.51 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.15 | 9.6 | -39.02 | 2 | 7 | 1 | 80 | 426.518 | 5 | ↓ |