| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2008 | 13 | Yes |
Popular Name: 5-(4-chlorophenyl)-1H-imidazol-2-amine 5-(4-chlorophenyl)-1H-imidazol-2…
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CAS Number: 60472-18-6
| 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) | 2.08 | 6.24 | -34.16 | 4 | 3 | 1 | 56 | 194.645 | 1 | ↓ |
| Ref Reference (pH 7) | 2.08 | 6.26 | -34.29 | 4 | 3 | 1 | 56 | 194.645 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 5.76 | -6.66 | 3 | 3 | 0 | 55 | 193.637 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 5.81 | -9.21 | 3 | 3 | 0 | 55 | 193.637 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50117-2-O | Pseudomonas Aeruginosa (cluster #2 Of 2), Other | Other | 3500 | 0.59 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50117 | Z50117 | Pseudomonas Aeruginosa | 3500 | 0.59 | Functional ≤ 10μM |
