In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 33 | 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) | 1.89 | 4.52 | -12.46 | 5 | 9 | 0 | 149 | 460.519 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.89 | 4.99 | -44.36 | 6 | 9 | 1 | 150 | 461.527 | 6 | ↓ |