| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 14 | Yes |
Popular Name: 1H-Benzimidazole, 1-ethoxy-2,4-dimethyl- (9CI) 1H-Benzimidazole, 1-ethoxy-2,4-d…
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CAS Number: 161958-72-1
| 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) | 2.32 | 1.53 | -7.71 | 0 | 3 | 0 | 27 | 190.246 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80052-2-O | C8166 (Leukemic T-cells) (cluster #2 Of 3), Other | Other | 8000 | 0.51 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80052 | Z80052 | C8166 (Leukemic T-cells) | 600 | 0.62 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.