| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 5th, 2011 | 15 | Yes |
Popular Name: 3-Fluoro-2-(piperazin-1-yl)benzonitrile 3-Fluoro-2-(piperazin-1-yl)benzo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1233026-65-7 , 182181-38-0 , [1233026-65-7]
| 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) | 1.16 | 5.69 | -37.21 | 2 | 3 | 1 | 44 | 206.244 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 4.39 | -7.19 | 1 | 3 | 0 | 39 | 205.236 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.