| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 29 | 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) | 0.78 | 10.02 | -119.4 | 3 | 6 | 0 | 93 | 409.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.78 | 10.22 | -72.1 | 2 | 6 | -1 | 91 | 408.4 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 8 | -72.68 | 4 | 6 | 1 | 90 | 410.416 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.97 | 7.24 | -103.46 | 4 | 6 | 1 | 96 | 410.416 | 3 | ↓ |
