In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 12th, 2008 | 31 | 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) | 2.60 | 3.34 | -46.64 | 0 | 9 | -1 | 112 | 445.835 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.14 | 6.02 | -15.92 | 1 | 9 | 0 | 109 | 446.843 | 6 | ↓ |