In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 13th, 2011 | 30 | Yes |
None
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) | 3.58 | 8.03 | -12.39 | 1 | 7 | 0 | 73 | 411.502 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.58 | 8.39 | -45.46 | 2 | 7 | 1 | 74 | 412.51 | 5 | ↓ |