| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 33 | No |
| 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) | 2.69 | 10.66 | -73.28 | 1 | 8 | 0 | 91 | 448.523 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 8.12 | -60.73 | 0 | 8 | -1 | 90 | 447.515 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 10.53 | -54.41 | 1 | 8 | 1 | 85 | 449.531 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 10.58 | -45.01 | 2 | 8 | 1 | 89 | 449.531 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 10.97 | -84.1 | 2 | 8 | 2 | 87 | 450.539 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 11.02 | -89.52 | 3 | 8 | 2 | 90 | 450.539 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 11.07 | -85.98 | 2 | 8 | 1 | 93 | 449.531 | 7 | ↓ |
