In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2010 | 15 | Yes |
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) | -4.04 | -0.89 | -93.86 | 7 | 6 | 1 | 125 | 218.277 | 8 | ↓ |
Hi High (pH 8-9.5) | -4.04 | -1.18 | -82.16 | 6 | 6 | 0 | 123 | 217.269 | 8 | ↓ |