In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2008 | 16 | 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) | 0.48 | 5.07 | -98.92 | 4 | 3 | 2 | 45 | 221.348 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.48 | 5.35 | -166.8 | 5 | 3 | 3 | 46 | 222.356 | 4 | ↓ |