| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2005 | 21 | No |
Popular Name: 6-(4-methoxybenzylidene)-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one 6-(4-methoxybenzylidene)-6,7,8,9…
| 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) | 4.59 | 2.04 | -8.22 | 0 | 2 | 0 | 26 | 278.351 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 340 | 0.43 | Functional ≤ 10μM |
| Z80285-2-O | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #2 Of 4), Other | Other | 470 | 0.42 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 1600 | 0.39 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 7), Other | Other | 350 | 0.43 | Functional ≤ 10μM |
| Z81051-2-O | Human Tumor Cell Lines (cluster #2 Of 2), Other | Other | 3500 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 350 | 0.43 | Functional ≤ 10μM |
| Z81051 | Z81051 | Human Tumor Cell Lines | 3500 | 0.36 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 340 | 0.43 | Functional ≤ 10μM |
| Z80285 | Z80285 | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) | 470 | 0.42 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 1600 | 0.39 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.