| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 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) | 3.64 | 3.55 | -44.27 | 1 | 7 | -1 | 104 | 464.679 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 4.48 | -95.14 | 0 | 7 | -2 | 107 | 463.671 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 6.23 | -12.08 | 2 | 7 | 0 | 101 | 465.687 | 3 | ↓ |
