| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 37 | 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) | 5.62 | 10.27 | -18.08 | 2 | 8 | 0 | 97 | 507.631 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.39 | 10.83 | -48.44 | 0 | 8 | -1 | 96 | 506.623 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.39 | 10.55 | -60.75 | 0 | 8 | -1 | 96 | 506.623 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.62 | 11.4 | -42.91 | 1 | 8 | -1 | 100 | 506.623 | 12 | ↓ |
