| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 20 | No |
Popular Name: (2E)-2-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile (2E)-2-(1H-benzimidazol-2-yl)-3-…
| 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) | 4.19 | 0.07 | -7.94 | 1 | 3 | 0 | 52 | 324.181 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247-5-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #5 Of 9), Other | Other | 9000 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 9000 | 0.35 | Functional ≤ 10μM |
