| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 30 | 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) | 3.03 | 7.25 | -44.13 | 3 | 6 | 1 | 78 | 443.358 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 5.47 | -11.86 | 2 | 6 | 0 | 77 | 442.35 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 8.19 | -81.8 | 4 | 6 | 2 | 79 | 444.366 | 4 | ↓ |
