In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 13 | 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) | -0.52 | 1.81 | -50.53 | 3 | 3 | 1 | 46 | 180.227 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.52 | 1.48 | -6.77 | 2 | 3 | 0 | 44 | 179.219 | 2 | ↓ |