In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 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) | 3.31 | 7.84 | -80.31 | 2 | 7 | 0 | 90 | 528.447 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.31 | 7.02 | -52.17 | 3 | 7 | 1 | 87 | 529.455 | 8 | ↓ |