| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 36 | 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) | 5.25 | 12.5 | -68.78 | 1 | 7 | 0 | 87 | 490.6 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.25 | 10.19 | -61.82 | 0 | 7 | -1 | 86 | 489.592 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 5.25 | 11.68 | -44.43 | 2 | 7 | 1 | 84 | 491.608 | 10 | ↓ |
