| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 26 | Yes |
Popular Name: 3-[4-(3-oxo-3-phenyl-propyl)piperazin-1-yl]-1-phenyl-propan-1-one 3-[4-(3-oxo-3-phenyl-propyl)pipe…
| 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) | 3.07 | 10.72 | -48.77 | 1 | 4 | 1 | 42 | 351.47 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 8.45 | -11.32 | 0 | 4 | 0 | 41 | 350.462 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 9710 | 0.27 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 2840 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 9710 | 0.27 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 2840 | 0.30 | Functional ≤ 10μM |
