In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 22 | 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) | 3.57 | 8.32 | -45.45 | 0 | 4 | -1 | 59 | 295.314 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.89 | 8.25 | -11.42 | 0 | 4 | 0 | 53 | 296.322 | 4 | ↓ |