| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2005 | 23 | No |
Popular Name: 2-(1H-benzoimidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]-prop-2-enenitrile 2-(1H-benzoimidazol-2-yl)-3-[4-(…
| 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) | 4.28 | 2.99 | -8.73 | 1 | 3 | 0 | 52 | 313.282 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-5-O | MCF7 (Breast Carcinoma Cells) (cluster #5 Of 14), Other | Other | 9110 | 0.31 | Functional ≤ 10μM |
| Z81146-1-O | LCLC-103H Cell Line (cluster #1 Of 1), Other | Other | 1600 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81146 | Z81146 | LCLC-103H Cell Line | 1600 | 0.35 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 9110 | 0.31 | Functional ≤ 10μM |
