In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2010 | 13 | 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) | 1.56 | 6.81 | -51.83 | 0 | 3 | -1 | 57 | 183.227 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.56 | 4.83 | -9.4 | 1 | 3 | 0 | 54 | 184.235 | 4 | ↓ |