| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 15 | Yes |
| 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) | -0.22 | 1.28 | -86.49 | 4 | 4 | 2 | 45 | 217.357 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.22 | -0.14 | -31.85 | 3 | 4 | 1 | 40 | 216.349 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.22 | 2.23 | -96.34 | 4 | 4 | 2 | 41 | 217.357 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.22 | 3.62 | -194.96 | 5 | 4 | 3 | 46 | 218.365 | 6 | ↓ |
