In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 33 | 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) | 6.62 | 11.85 | -52.4 | 1 | 3 | -1 | 60 | 453.687 | 1 | ↓ |
Lo Low (pH 4.5-6) | 6.62 | 9.91 | -5.35 | 2 | 3 | 0 | 58 | 454.695 | 1 | ↓ |