| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2009 | 33 | 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) | 2.34 | 4.35 | -64.57 | 1 | 8 | -1 | 106 | 447.467 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 6.7 | -72.34 | 2 | 8 | 0 | 107 | 448.475 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 5.88 | -50.25 | 3 | 8 | 1 | 105 | 449.483 | 6 | ↓ |
