| 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) | -0.31 | 7.11 | -106.7 | 3 | 8 | 0 | 111 | 423.416 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.31 | 6.93 | -68.95 | 2 | 8 | -1 | 110 | 422.408 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.31 | 5.1 | -60.36 | 4 | 8 | 1 | 109 | 424.424 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -3.05 | 5.15 | -81.84 | 4 | 8 | 1 | 114 | 424.424 | 4 | ↓ |
