In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 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) | 1.41 | 7.08 | -55.3 | 2 | 11 | 1 | 156 | 517.565 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.41 | 7.38 | -23.71 | 1 | 11 | 0 | 154 | 516.557 | 8 | ↓ |