| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2008 | 13 | Yes |
Popular Name: 5-(4-bromophenyl)-1H-imidazol-2-amine 5-(4-bromophenyl)-1H-imidazol-2-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1177346-50-7 , 1638221-25-6 , 60472-19-7
5-(4-bromophenyl)-1H-imidazol-2-amine hydrate
| 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) | 2.21 | -2.54 | -6.84 | 3 | 3 | 0 | 55 | 238.088 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | -2.28 | -35.03 | 4 | 3 | 1 | 56 | 239.096 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 194 - 196 | Enamine Building Blocks |
| MP | 194...196 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US5358960; WO2000062626A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50117-2-O | Pseudomonas Aeruginosa (cluster #2 Of 2), Other | Other | 3200 | 0.59 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50117 | Z50117 | Pseudomonas Aeruginosa | 3200 | 0.59 | Functional ≤ 10μM |
