In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 35 | 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) | 4.27 | 6.83 | -26.98 | 3 | 9 | 0 | 126 | 498.605 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.27 | 7.23 | -54.56 | 4 | 9 | 1 | 127 | 499.613 | 7 | ↓ |