| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 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) | 6.04 | 8.85 | -16.88 | 1 | 9 | 0 | 122 | 482.905 | 6 | ↓ |
| Hi High (pH 8-9.5) | 6.50 | 7.33 | -49.85 | 0 | 9 | -1 | 125 | 481.897 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 6.04 | -1.34 | -43.25 | 2 | 9 | 1 | 123 | 483.913 | 6 | ↓ |
