| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2008 | 29 | 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) | -1.17 | -1.94 | -70.15 | 6 | 9 | -1 | 181 | 400.363 | 0 | ↓ |
| Hi High (pH 8-9.5) | -1.17 | -2.06 | -72.57 | 6 | 9 | -1 | 181 | 400.363 | 0 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | -3.05 | -21.54 | 7 | 9 | 0 | 178 | 401.371 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.12 | -5.81 | -23.72 | 8 | 9 | 0 | 181 | 402.379 | 1 | ↓ |
