In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 18 | Yes |
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 | 8.19 | -46.67 | 1 | 3 | -1 | 52 | 248.346 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.39 | 8.33 | -30.2 | 2 | 3 | 0 | 57 | 249.354 | 6 | ↓ |