| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 30 | 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) | 2.50 | 8.53 | -77.19 | 1 | 7 | 0 | 83 | 410.47 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 6 | -60.77 | 0 | 7 | -1 | 82 | 409.462 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 7.7 | -56.97 | 2 | 7 | 1 | 81 | 411.478 | 8 | ↓ |
