| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 28 | 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) | 2.21 | 6.71 | -22.84 | 1 | 7 | 0 | 87 | 445.317 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 5.77 | -38.2 | 0 | 7 | -1 | 94 | 444.309 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 9.15 | -44.3 | 2 | 7 | 1 | 89 | 446.325 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 8.98 | -45.57 | 2 | 7 | 1 | 89 | 446.325 | 5 | ↓ |
