In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 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) | 7.31 | 12.98 | -61.32 | 1 | 5 | -1 | 81 | 476.637 | 8 | ↓ |
Lo Low (pH 4.5-6) | 7.31 | 12.23 | -11.77 | 2 | 5 | 0 | 78 | 477.645 | 8 | ↓ |