In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2006 | 24 | 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) | 3.98 | 7.25 | -11.45 | 0 | 5 | 0 | 50 | 323.348 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.98 | 7.63 | -44.65 | 1 | 5 | 1 | 51 | 324.356 | 4 | ↓ |