| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 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) | 2.98 | 8.41 | -22.71 | 2 | 8 | 0 | 96 | 459.55 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | 9.19 | -62.59 | 1 | 8 | -1 | 99 | 458.542 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.98 | -1.51 | -48.45 | 2 | 8 | 1 | 91 | 460.558 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | 8.81 | -44 | 3 | 8 | 1 | 98 | 460.558 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.98 | 12.11 | -43.33 | 2 | 8 | 1 | 91 | 460.558 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.98 | 12.11 | -44.06 | 2 | 8 | 1 | 91 | 460.558 | 5 | ↓ |
