| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 36 | 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) | 3.46 | 9.04 | -75.54 | 6 | 8 | 2 | 94 | 497.732 | 13 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 8.69 | -44.66 | 5 | 8 | 1 | 93 | 496.724 | 13 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 12.36 | -172.05 | 7 | 8 | 3 | 99 | 498.74 | 13 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 11 | -85.51 | 6 | 8 | 2 | 94 | 497.732 | 13 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 10.39 | -162.9 | 7 | 8 | 3 | 99 | 498.74 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 3.46 | 12.71 | -236.07 | 8 | 8 | 4 | 100 | 499.748 | 13 | ↓ |
