In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 15 | 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) | 3.83 | 5.53 | -45.61 | 3 | 2 | 1 | 37 | 249.161 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.83 | 5.15 | -2.2 | 2 | 2 | 0 | 35 | 248.153 | 5 | ↓ |