| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 26 | Yes |
Popular Name: (3-amino-7-methoxy-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone (3-amino-7-methoxy-benzofuran-2-…
| 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) | 3.01 | 5.07 | -12.84 | 2 | 7 | 0 | 93 | 357.362 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 4), Other | Other | 7700 | 0.28 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 7700 | 0.28 | ADME/T ≤ 10μM |
