| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 14 | Yes |
Popular Name: 2-(2-Benzofuranyl)-1h-imidazole hcl 2-(2-Benzofuranyl)-1h-imidazole hcl
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CAS Number: 150985-44-7
| 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) | 2.49 | 0.02 | -9.01 | 1 | 3 | 0 | 41 | 184.198 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA-4-E | Monoamine Oxidase A (cluster #4 Of 8), Eukaryotic | Eukaryotes | 880 | 0.61 | Binding ≤ 10μM |
| AOFB-4-E | Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic | Eukaryotes | 880 | 0.61 | Binding ≤ 10μM |
| NISCH-3-E | Nischarin (cluster #3 Of 4), Eukaryotic | Eukaryotes | 880 | 0.61 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 880 | 0.61 | Binding ≤ 1μM |
| AOFB_RAT | P19643 | Monoamine Oxidase B, Rat | 880 | 0.61 | Binding ≤ 1μM |
| NISCH_HUMAN | Q9Y2I1 | Nischarin, Human | 880 | 0.61 | Binding ≤ 1μM |
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 880 | 0.61 | Binding ≤ 10μM |
| AOFB_RAT | P19643 | Monoamine Oxidase B, Rat | 880 | 0.61 | Binding ≤ 10μM |
| NISCH_HUMAN | Q9Y2I1 | Nischarin, Human | 880 | 0.61 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 |
No pre-computed analogs available. Try a structural similarity search.