In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 13 | Yes |
Popular Name: N-1H-benzimidazol-2-ylacetamide N-1H-benzimidazol-2-ylacetamide
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CAS Number: 21202-05-1
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) | 0.97 | 4.83 | -10.39 | 2 | 4 | 0 | 58 | 175.191 | 1 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80035-1-O | B16 (Melanoma Cells) (cluster #1 Of 7), Other | Other | 8500 | 0.55 | Functional ≤ 10μM |
Z80166-12-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #12 Of 12), Other | Other | 9500 | 0.54 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80035 | Z80035 | B16 (Melanoma Cells) | 8500 | 0.55 | Functional ≤ 10μM |
Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 9500 | 0.54 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.