In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 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) | 2.42 | 9.97 | -61.85 | 0 | 8 | -1 | 103 | 449.483 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 8.93 | -17.22 | 1 | 8 | 0 | 100 | 450.491 | 6 | ↓ |