| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 7th, 2008 | 24 | No |
Popular Name: (2E,5Z)-5-[(4-dimethylaminophenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one (2E,5Z)-5-[(4-dimethylaminopheny…
| 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) | 3.77 | 5.12 | -45.99 | 1 | 5 | -1 | 68 | 338.412 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.77 | 5.65 | -17.36 | 2 | 5 | 0 | 65 | 339.42 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81245-1-O | MDA-MB-435 (Breast Carcinoma Cells) (cluster #1 Of 6), Other | Other | 2800 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81245 | Z81245 | MDA-MB-435 (Breast Carcinoma Cells) | 2800 | 0.32 | Functional ≤ 10μM |
