In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 34 | 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) | 5.46 | 13.69 | -67.35 | 1 | 6 | 0 | 74 | 529.475 | 12 | ↓ |
Lo Low (pH 4.5-6) | 5.46 | 12.78 | -51.2 | 2 | 6 | 1 | 71 | 530.483 | 12 | ↓ |