| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 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) | 0.14 | 1.01 | -73.78 | 6 | 9 | 0 | 165 | 462.886 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.14 | -0.08 | -112.21 | 4 | 9 | -2 | 167 | 460.87 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.14 | 1.99 | -119.65 | 5 | 9 | -1 | 168 | 461.878 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.14 | -1.06 | -56.53 | 5 | 9 | -1 | 164 | 461.878 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.14 | 3.14 | -92.89 | 5 | 9 | -1 | 168 | 461.878 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.14 | -1.69 | -58.27 | 7 | 9 | 1 | 163 | 463.894 | 2 | ↓ |
