| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 21st, 2009 | 34 | Yes |
Popular Name: 1-(4-chlorophenyl)-4-[[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine 1-(4-chlorophenyl)-4-[[3-[[4-(4-…
| 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) | 6.05 | 12.78 | -47.52 | 1 | 4 | 1 | 14 | 496.506 | 6 | ↓ |
| Mid Mid (pH 6-8) | 6.05 | 15.1 | -115.07 | 2 | 4 | 2 | 15 | 497.514 | 6 | ↓ |
| Mid Mid (pH 6-8) | 6.05 | 10.46 | -4.51 | 0 | 4 | 0 | 13 | 495.498 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 2000 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 2000 | 0.23 | Functional ≤ 10μM |
