In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 37 | 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) | 4.65 | 10.25 | -12.94 | 1 | 8 | 0 | 89 | 519.623 | 9 | ↓ |
Lo Low (pH 4.5-6) | 0.98 | 11.12 | -38.4 | 2 | 8 | 1 | 89 | 520.631 | 10 | ↓ |