| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2006 | 25 | Yes |
Popular Name: [1-ethyl-4-hydroxy-4-(p-tolyl)-3-piperidyl]-(p-tolyl)methanone [1-ethyl-4-hydroxy-4-(p-tolyl)-3…
None
| 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) | 4.29 | 10.43 | -33.84 | 2 | 3 | 1 | 42 | 338.471 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.29 | 8.8 | -5.67 | 1 | 3 | 0 | 41 | 337.463 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 8600 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 8600 | 0.28 | Functional ≤ 10μM |
