| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 13th, 2004 | 34 | 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) | 3.68 | 6.3 | -15.06 | 3 | 8 | 0 | 108 | 465.55 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 5.93 | -62.73 | 1 | 8 | -1 | 107 | 464.542 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 7.05 | -55.85 | 1 | 8 | -1 | 107 | 464.542 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 7.31 | -47.49 | 2 | 8 | -1 | 111 | 464.542 | 8 | ↓ |
