| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 19 | No |
Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-5-hydroxy-benzofuran-3-one (2Z)-2-[(4-chlorophenyl)methylen…
| 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) | 3.41 | 6.1 | -8.61 | 1 | 3 | 0 | 50 | 272.687 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 6.85 | -45.08 | 0 | 3 | -1 | 53 | 271.679 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81057-1-O | HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other | Other | 7930 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81057 | Z81057 | HUVEC (Umbilical Vein Endothelial Cells) | 7930 | 0.38 | Functional ≤ 10μM |
