In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2009 | 13 | 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) | 0.89 | 0.68 | -49.25 | 4 | 3 | 1 | 57 | 180.227 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.89 | 1.61 | -71.87 | 3 | 3 | 0 | 60 | 179.219 | 1 | ↓ |