In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 11th, 2009 | 25 | Yes |
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) | 8.83 | 17.89 | -44.45 | 0 | 2 | -1 | 40 | 457.416 | 16 | ↓ |
Lo Low (pH 4.5-6) | 8.83 | 15.92 | -6.41 | 1 | 2 | 0 | 37 | 458.424 | 16 | ↓ |