| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 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) | 4.13 | 12.73 | -74.64 | 1 | 7 | 0 | 83 | 480.605 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 10.41 | -59.21 | 0 | 7 | -1 | 82 | 479.597 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 4.13 | 11.9 | -55.54 | 2 | 7 | 1 | 81 | 481.613 | 12 | ↓ |
