| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2011 | 20 | Yes |
Popular Name: (3-hydroxy-2-pyridyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (3-hydroxy-2-pyridyl)-[4-(2,2,2-…
| 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) | 1.14 | 3.79 | -52.03 | 0 | 5 | -1 | 59 | 288.249 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 1.84 | -31.11 | 1 | 5 | 0 | 61 | 289.257 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 2.8 | -12.32 | 1 | 5 | 0 | 57 | 289.257 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
