In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2010 | 39 | No |
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) | 3.49 | 6.44 | -58.76 | 3 | 8 | -1 | 144 | 545.693 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.49 | 4.72 | -18.58 | 4 | 8 | 0 | 141 | 546.701 | 4 | ↓ |