| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2009 | 30 | 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) | 3.47 | 5.49 | -41.05 | 3 | 6 | 1 | 78 | 450.342 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 3.78 | -40.36 | 1 | 6 | -1 | 80 | 448.326 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 3.21 | -7.94 | 2 | 6 | 0 | 77 | 449.334 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 6.06 | -27.09 | 2 | 6 | 0 | 81 | 449.334 | 5 | ↓ |
