In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2009 | 11 | 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) | -3.23 | -3.86 | -85.48 | 7 | 5 | 1 | 116 | 163.197 | 5 | ↓ |
Hi High (pH 8-9.5) | -3.23 | -3.32 | -52.68 | 6 | 5 | 0 | 118 | 162.189 | 5 | ↓ |