In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2009 | 34 | 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) | 5.03 | 12.41 | -53.41 | 0 | 6 | -1 | 80 | 454.55 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.57 | 14.17 | -11.57 | 1 | 6 | 0 | 77 | 455.558 | 5 | ↓ |