In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2006 | 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) | 3.40 | 11.84 | -20.77 | 0 | 8 | 0 | 85 | 486.601 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.07 | 12.2 | -93.17 | 2 | 8 | 2 | 85 | 488.617 | 4 | ↓ |