| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 32 | 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) | -0.40 | 2.17 | -62.57 | 4 | 9 | -1 | 161 | 459.862 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.40 | 3.16 | -123.67 | 3 | 9 | -2 | 164 | 458.854 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 5.11 | -126.27 | 4 | 9 | -1 | 165 | 459.862 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 1.63 | -60.95 | 6 | 9 | 1 | 159 | 461.878 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.98 | 2.58 | -69.19 | 5 | 9 | 1 | 156 | 461.878 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 4.74 | -132.11 | 4 | 9 | -1 | 165 | 459.862 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 6.02 | -163.84 | 3 | 9 | -2 | 168 | 458.854 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.40 | 4.33 | -61.35 | 5 | 9 | 0 | 162 | 460.87 | 2 | ↓ |
