In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 31 | 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) | 3.91 | 6.13 | -57.13 | 2 | 6 | -1 | 99 | 434.855 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.91 | 5.37 | -15.3 | 3 | 6 | 0 | 96 | 435.863 | 6 | ↓ |