In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 21st, 2009 | 32 | 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) | -0.59 | -7.04 | -16.68 | 7 | 11 | 0 | 186 | 450.396 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.59 | -6.05 | -61.85 | 6 | 11 | -1 | 189 | 449.388 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.59 | -5.72 | -60.72 | 6 | 11 | -1 | 189 | 449.388 | 4 | ↓ |