| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 34 | 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) | 3.07 | 11.05 | -70.57 | 1 | 8 | 0 | 91 | 462.55 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 8.53 | -59.75 | 0 | 8 | -1 | 90 | 461.542 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | 10.23 | -51.81 | 2 | 8 | 1 | 89 | 463.558 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | 11.46 | -75.64 | 2 | 8 | 1 | 93 | 463.558 | 8 | ↓ |
