| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 35 | 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) | 2.79 | 12.09 | -73.15 | 1 | 8 | 0 | 96 | 481.593 | 12 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 9.56 | -52.54 | 0 | 8 | -1 | 95 | 480.585 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 2.79 | 10.8 | -62.68 | 2 | 8 | 1 | 93 | 482.601 | 12 | ↓ |
