| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 17 | Yes |
Popular Name: (4-hydroxyphenyl)(4-methylpiperazin-1-yl)acetonitrile (4-hydroxyphenyl)(4-methylpipera…
Find On: PubMed — Wikipedia — Google
CAS Number: 877825-73-5
| 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) | 1.12 | 3.62 | -45.64 | 2 | 4 | 1 | 52 | 232.307 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 1.92 | -44.06 | 0 | 4 | -1 | 53 | 230.291 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.12 | 1.14 | -9.13 | 1 | 4 | 0 | 50 | 231.299 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
