| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2009 | 42 | 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) | 2.66 | 4.63 | -44.95 | 4 | 10 | 0 | 144 | 611.79 | 14 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 6.21 | -131.74 | 2 | 10 | -2 | 149 | 609.774 | 14 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 5.42 | -84.38 | 3 | 10 | -1 | 147 | 610.782 | 14 | ↓ |
