| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 30 | 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) | 4.39 | 8.27 | -11.78 | 2 | 6 | 0 | 78 | 425.916 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.37 | 8.92 | -53.65 | 0 | 6 | -1 | 77 | 424.908 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.37 | 8.89 | -56.27 | 0 | 6 | -1 | 77 | 424.908 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.39 | 9.24 | -37.99 | 1 | 6 | -1 | 81 | 424.908 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.39 | 9.04 | -51.06 | 1 | 6 | -1 | 81 | 424.908 | 7 | ↓ |
