In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 16 | 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) | 4.50 | 9.08 | -5.02 | 0 | 1 | 0 | 12 | 229.71 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.50 | 9.43 | -32.56 | 1 | 1 | 1 | 14 | 230.718 | 2 | ↓ |