| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 31 | 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) | 2.34 | 9.58 | -77.11 | 1 | 7 | 0 | 87 | 423.513 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 7.06 | -60.44 | 0 | 7 | -1 | 86 | 422.505 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 8.77 | -57.13 | 2 | 7 | 1 | 84 | 424.521 | 8 | ↓ |
