| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2007 | 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) | 1.54 | 5.03 | -62.26 | 2 | 8 | -1 | 119 | 443.863 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | -4.27 | -37.31 | 3 | 8 | 0 | 116 | 444.871 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | -3.97 | -32.78 | 2 | 8 | 0 | 113 | 444.871 | 7 | ↓ |
