In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 25 | 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) | 4.66 | 8.29 | -10.12 | 2 | 5 | 0 | 71 | 353.447 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.66 | 8.22 | -45.54 | 1 | 5 | -1 | 73 | 352.439 | 6 | ↓ |