| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2009 | 32 | Yes |
| 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) | 3.36 | 1.79 | -11.5 | 3 | 8 | 0 | 108 | 457.914 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 2.55 | -44.72 | 2 | 8 | -1 | 111 | 456.906 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.36 | 4.06 | -44 | 4 | 8 | 1 | 109 | 458.922 | 6 | ↓ |
