| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2009 | 31 | 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) | 2.25 | 6.92 | -50.72 | 0 | 7 | -1 | 86 | 461.325 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 9.27 | -72.74 | 1 | 7 | 0 | 87 | 462.333 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.25 | 7.97 | -66.07 | 2 | 7 | 1 | 84 | 463.341 | 6 | ↓ |
