In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 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) | 0.58 | 0.52 | -55.23 | 4 | 3 | 1 | 57 | 186.206 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.58 | 1.39 | -86.25 | 3 | 3 | 0 | 60 | 185.198 | 3 | ↓ |