In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 15 | 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) | 2.39 | 5.09 | -13.24 | 3 | 3 | 0 | 51 | 223.345 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.39 | 5.31 | -43.46 | 4 | 3 | 1 | 52 | 224.353 | 5 | ↓ |