| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 34 | Yes |
Popular Name: 2-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-3H-benzoimidazol-5-yl]-3H-benzoimidazole 2-(4-methoxyphenyl)-5-[2-(4-meth…
| 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) | 7.01 | 11.64 | -16.05 | 2 | 6 | 0 | 76 | 446.51 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 7.01 | 12.06 | -37.3 | 3 | 6 | 1 | 77 | 447.518 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 7.01 | 12.5 | -75.76 | 4 | 6 | 2 | 78 | 448.526 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0793654A1; US5824698; WO1996016042A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80017-2-O | A2780cisR (Cisplatin-resistant Ovarian Carcinoma Cells) (cluster #2 Of 2), Other | Other | 5100 | 0.22 | Functional ≤ 10μM |
| Z80768-1-O | CH1 (Ovarian Carcinoma Cells) (cluster #1 Of 1), Other | Other | 3800 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80017 | Z80017 | A2780cisR (Cisplatin-resistant Ovarian Carcinoma Cells) | 5100 | 0.22 | Functional ≤ 10μM |
| Z80768 | Z80768 | CH1 (Ovarian Carcinoma Cells) | 3800 | 0.22 | Functional ≤ 10μM |
