| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2008 | 19 | No |
Popular Name: (E)-2-(1H-benzimidazol-2-yl)-3-(1-methylpyrrol-2-yl)prop-2-enenitrile (E)-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) | 2.42 | 7.84 | -10.23 | 1 | 4 | 0 | 57 | 248.289 | 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 | 800 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 800 | 0.45 | Functional ≤ 10μM |
