In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 27th, 2007 | 19 | 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) | 3.39 | 6.29 | -49.97 | 0 | 3 | -1 | 53 | 248.261 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.39 | 5.72 | -9.55 | 1 | 3 | 0 | 50 | 249.269 | 2 | ↓ |