| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 2nd, 2006 | 22 | No |
Popular Name: 4-[2-(3-ethylbenzothiazol-2-yl)vinyl]-N,N-dimethyl-aniline 4-[2-(3-ethylbenzothiazol-2-yl)v…
| 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) | 1.80 | 12.02 | -23.58 | 0 | 2 | 1 | 7 | 309.458 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0708334A2; EP0708334A3; US4218247; US4259424; US5242892; US6045727; US6090571; US6139782; WO1991016820A1; WO1997026245A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80418-7-O | RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #7 Of 9), Other | Other | 4937 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80418 | Z80418 | RAW264.7 (Monocytic-macrophage Leukemia Cells) | 4937 | 0.34 | Functional ≤ 10μM |
