In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 25th, 2010 | 38 | 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) | 8.31 | 20.26 | -187.36 | 1 | 8 | -3 | 149 | 538.746 | 28 | ↓ |
Lo Low (pH 4.5-6) | 8.31 | 18.28 | -111.67 | 2 | 8 | -2 | 147 | 539.754 | 28 | ↓ |