| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 22 | 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) | 2.78 | 5.77 | -12.37 | 2 | 5 | 0 | 80 | 295.294 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 6.54 | -39.19 | 1 | 5 | -1 | 82 | 294.286 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 4.39 | -51.9 | 1 | 5 | -1 | 86 | 294.286 | 2 | ↓ |
