| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 27 | 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) | 4.49 | 11.01 | -9.42 | 1 | 4 | 0 | 54 | 411.836 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.03 | 9.92 | -40.61 | 0 | 4 | -1 | 56 | 410.828 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.03 | 11.17 | -36.72 | 2 | 4 | 1 | 55 | 412.844 | 6 | ↓ |
