| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | Yes |
Popular Name: 2-(4-hydroxypyrimidin-2-yl)sulfanyl-5-(trifluoromethyl)benzonitrile 2-(4-hydroxypyrimidin-2-yl)sulfa…
| 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) | 2.49 | 6.09 | -12.76 | 1 | 4 | 0 | 70 | 297.261 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.95 | 4.11 | -45.75 | 0 | 4 | -1 | 73 | 296.253 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.49 | 5.52 | -22.6 | 1 | 4 | 0 | 70 | 297.261 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
