In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 37 | 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) | 6.25 | 11.34 | -9.76 | 2 | 6 | 0 | 81 | 499.655 | 8 | ↓ |
Lo Low (pH 4.5-6) | 6.25 | 11.65 | -44.52 | 3 | 6 | 1 | 82 | 500.663 | 8 | ↓ |