| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 11 | Yes |
Popular Name: 1H-Imidazole, 1-(2-ethylbutyl)- (9CI) 1H-Imidazole, 1-(2-ethylbutyl)- …
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CAS Number: 717908-67-3
| 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) | 2.12 | 7 | -5.59 | 0 | 2 | 0 | 18 | 152.241 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 7.5 | -30.04 | 1 | 2 | 1 | 19 | 153.249 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CPXA-1-B | Cytochrome P450-cam (cluster #1 Of 1), Bacterial | Bacteria | 800 | 0.78 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CPXA_PSEPU | P00183 | Cytochrome P450-cam, Psepu | 800 | 0.78 | Binding ≤ 1μM |
| CPXA_PSEPU | P00183 | Cytochrome P450-cam, Psepu | 800 | 0.78 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.