| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2006 | 16 | No |
Popular Name: 5-Benzylidene-3-ethylrhodanine; BRN 0183677; LS-143533; Rhodanine, 5-benzylidene-3-ethyl- 5-Benzylidene-3-ethylrhodanine; …
| 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) | 2.27 | -0.68 | -7.31 | 0 | 2 | 0 | 22 | 249.36 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 7), Other | Other | 8000 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 6000 | 0.46 | Functional ≤ 10μM |
