| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2008 | 26 | No |
Popular Name: (E)-1-[3,5-bis(dimethylaminomethyl)-4-hydroxy-phenyl]-3-(3-chlorophenyl)prop-2-en-1-one (E)-1-[3,5-bis(dimethylaminometh…
| 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) | 3.71 | 12.05 | -42.61 | 2 | 4 | 1 | 49 | 373.904 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 5750 | 0.28 | Functional ≤ 10μM |
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 5960 | 0.28 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 8660 | 0.27 | Functional ≤ 10μM |
| Z81051-2-O | Human Tumor Cell Lines (cluster #2 Of 2), Other | Other | 4680 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 2680 | 0.30 | Functional ≤ 10μM |
| Z81051 | Z81051 | Human Tumor Cell Lines | 4680 | 0.29 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 5960 | 0.28 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 8660 | 0.27 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.