| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 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) | 3.08 | 7.78 | -47.65 | 4 | 8 | 1 | 95 | 487.024 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 7.78 | -48.36 | 4 | 8 | 1 | 95 | 487.024 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 5.56 | -17.42 | 3 | 8 | 0 | 94 | 486.016 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 10.05 | -126.52 | 5 | 8 | 2 | 96 | 488.032 | 8 | ↓ |
