| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2008 | 31 | Yes |
| 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) | 3.87 | 8.71 | -19.49 | 2 | 8 | 0 | 116 | 450.549 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.87 | 9.1 | -14.97 | 2 | 8 | 0 | 116 | 450.549 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.33 | 7.45 | -46.1 | 1 | 8 | -1 | 120 | 449.541 | 6 | ↓ |
