| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 32 | 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) | 3.96 | 11.79 | -51.89 | 0 | 8 | -1 | 119 | 448.48 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.40 | 12.03 | -10.92 | 1 | 8 | 0 | 116 | 449.488 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 0.32 | -14.14 | 0 | 8 | 0 | 113 | 449.488 | 5 | ↓ |
