| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2008 | 33 | 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) | 7.42 | 12.76 | -58.69 | 1 | 6 | -1 | 95 | 498.367 | 6 | ↓ |
| Hi High (pH 8-9.5) | 7.87 | 10.73 | -111.75 | 0 | 6 | -2 | 98 | 497.359 | 6 | ↓ |
| Hi High (pH 8-9.5) | 7.87 | 11.33 | -107.21 | 0 | 6 | -2 | 98 | 497.359 | 6 | ↓ |
