| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 18 | No |
Popular Name: 2-(1H-benzo[d]imidazol-2-yl)-3-(2-thienyl)acrylonitrile 2-(1H-benzo[d]imidazol-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) | 3.10 | 7.54 | -7.46 | 1 | 3 | 0 | 52 | 251.314 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81130-1-O | KYSE-70 Cell Line (cluster #1 Of 1), Other | Other | 8780 | 0.39 | Functional ≤ 10μM |
| Z81146-1-O | LCLC-103H Cell Line (cluster #1 Of 1), Other | Other | 2500 | 0.44 | Functional ≤ 10μM |
| Z81247-5-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #5 Of 9), Other | Other | 8000 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 8000 | 0.40 | Functional ≤ 10μM |
| Z81130 | Z81130 | KYSE-70 Cell Line | 8780 | 0.39 | Functional ≤ 10μM |
| Z81146 | Z81146 | LCLC-103H Cell Line | 2500 | 0.44 | Functional ≤ 10μM |
