| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 15 | No |
Popular Name: N-(4-tert-Butyl-phenyl)-2-chloro-acetamide N-(4-tert-Butyl-phenyl)-2-chloro…
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CAS Number: 20330-46-5
| 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) | 3.43 | 6.35 | -9.68 | 1 | 2 | 0 | 29 | 225.719 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 5400 | 0.49 | Functional ≤ 10μM |
| Z81233-1-O | M21 (Melanoma Cells) (cluster #1 Of 2), Other | Other | 5400 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81233 | Z81233 | M21 (Melanoma Cells) | 5400 | 0.49 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 5400 | 0.49 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.