In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 19 | 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) | 4.89 | 9.59 | -37.39 | 2 | 2 | 1 | 26 | 321.238 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.89 | 8.21 | -3.27 | 1 | 2 | 0 | 21 | 320.23 | 6 | ↓ |