In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2010 | 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) | 5.44 | 13.69 | -60.12 | 0 | 4 | -1 | 74 | 467.67 | 1 | ↓ |
Lo Low (pH 4.5-6) | 5.44 | 11.73 | -12.22 | 1 | 4 | 0 | 71 | 468.678 | 1 | ↓ |