| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2009 | 28 | 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) | 4.34 | 6.56 | -9.59 | 2 | 6 | 0 | 82 | 458.754 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.34 | 7.32 | -41 | 1 | 6 | -1 | 85 | 457.746 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.34 | 7.86 | -39.63 | 1 | 6 | -1 | 85 | 457.746 | 3 | ↓ |
