In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 37 | 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) | 3.37 | 11 | -61.96 | 0 | 8 | -1 | 101 | 501.559 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.37 | 10.25 | -17.68 | 1 | 8 | 0 | 98 | 502.567 | 11 | ↓ |