In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 26 | 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) | 3.47 | 5.92 | -54.96 | 1 | 5 | -1 | 78 | 419.226 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.47 | 5.15 | -10.97 | 2 | 5 | 0 | 76 | 420.234 | 4 | ↓ |