| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 31st, 2006 | 23 | No |
| 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) | 3.89 | 6.29 | -11.96 | 2 | 5 | 0 | 70 | 322.755 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.34 | 4.55 | -44.59 | 1 | 5 | -1 | 73 | 321.747 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.34 | 4.24 | -49.06 | 1 | 5 | -1 | 73 | 321.747 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 5.07 | 4.76 | -31.03 | 3 | 5 | 1 | 75 | 323.763 | 2 | ↓ |
