| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 23rd, 2008 | 34 | Yes |
None
| 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) | 4.35 | 12.09 | -137.58 | 3 | 6 | 2 | 56 | 499.961 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.35 | 10.09 | -48.81 | 2 | 6 | 1 | 55 | 498.953 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.17 | 9.34 | -36.73 | 1 | 6 | 0 | 62 | 497.945 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.35 | 9.77 | -55.72 | 2 | 6 | 1 | 55 | 498.953 | 6 | ↓ |
