In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 37 | 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) | 6.73 | 17.35 | -12.92 | 0 | 5 | 0 | 49 | 511.069 | 6 | ↓ |
Lo Low (pH 4.5-6) | 6.73 | 17.67 | -40.81 | 1 | 5 | 1 | 51 | 512.077 | 6 | ↓ |