In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 35 | 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) | 5.80 | 10.99 | -54.7 | 1 | 6 | -1 | 88 | 470.545 | 8 | ↓ |
Lo Low (pH 4.5-6) | 5.80 | 10.23 | -12.39 | 2 | 6 | 0 | 85 | 471.553 | 8 | ↓ |