| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 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) | 1.81 | 7.96 | -72.59 | 1 | 8 | 0 | 96 | 423.469 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 5.66 | -58.39 | 0 | 8 | -1 | 95 | 422.461 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 7.14 | -57.02 | 2 | 8 | 1 | 93 | 424.477 | 8 | ↓ |
