| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 19 | Yes |
Popular Name: 2-[(4S)-2-[(2S)-2-ethyl-3H-benzofuran-2-yl]-4,5-dihydro-1H-imidazol-4-yl]ethanamine 2-[(4S)-2-[(2S)-2-ethyl-3H-benzo…
| 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) | 1.55 | 3.47 | -101.84 | 5 | 4 | 2 | 63 | 261.369 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 2.74 | -41.72 | 4 | 4 | 1 | 61 | 260.361 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NISCH-2-E | Nischarin (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1008 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NISCH_RAT | Q4G017 | Nischarin, Rat | 1008 | 0.44 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
