In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 25th, 2010 | 41 | 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) | 5.13 | 18.03 | -166.92 | 0 | 10 | -3 | 165 | 573.659 | 15 | ↓ |
Lo Low (pH 4.5-6) | 5.13 | 15.99 | -99.45 | 1 | 10 | -2 | 162 | 574.667 | 15 | ↓ |