In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2005 | 20 | No |
Popular Name: 2-(1H-benzoimidazol-2-yl)-3-(p-tolyl)prop-2-enenitrile 2-(1H-benzoimidazol-2-yl)-3-(p-t…
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) | 3.83 | 9.02 | -7.97 | 1 | 3 | 0 | 52 | 259.312 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80224-5-O | MCF7 (Breast Carcinoma Cells) (cluster #5 Of 14), Other | Other | 8000 | 0.36 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 8000 | 0.36 | Functional ≤ 10μM |