| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 28 | 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) | 5.08 | 9.15 | -9.45 | 2 | 5 | 0 | 69 | 395.89 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.85 | 9.56 | -50.83 | 0 | 5 | -1 | 68 | 394.882 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.85 | 9.74 | -42 | 0 | 5 | -1 | 68 | 394.882 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.08 | 10.23 | -43.05 | 1 | 5 | -1 | 72 | 394.882 | 4 | ↓ |
