In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 29 | 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) | 5.10 | 10.83 | -61.04 | 0 | 4 | -1 | 60 | 418.847 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.10 | 10.07 | -13.52 | 1 | 4 | 0 | 58 | 419.855 | 6 | ↓ |