| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 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) | 2.39 | 4.68 | -55.11 | 3 | 8 | 1 | 97 | 455.531 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 5.31 | -30.18 | 2 | 8 | 0 | 100 | 454.523 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 2.98 | -45.55 | 1 | 8 | -1 | 98 | 453.515 | 7 | ↓ |
