In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 34 | 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) | 2.52 | 12.07 | -21.96 | 1 | 8 | 0 | 89 | 457.534 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.52 | 12.84 | -35.71 | 2 | 8 | 0 | 90 | 458.542 | 7 | ↓ |