In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2008 | 29 | 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) | 4.33 | 10.05 | -49.82 | 0 | 5 | -1 | 80 | 421.269 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.33 | 8.92 | -16.46 | 1 | 5 | 0 | 77 | 422.277 | 7 | ↓ |