| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 22 | 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) | 1.85 | 6.33 | -45.47 | 3 | 5 | 1 | 62 | 321.47 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 5.58 | -56.2 | 3 | 5 | 1 | 66 | 321.47 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 4.21 | -47.35 | 2 | 5 | 0 | 69 | 320.462 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 4.2 | -10.72 | 2 | 5 | 0 | 61 | 320.462 | 7 | ↓ |
