| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 23 | Yes |
Popular Name: 1-[(S)-benzofuran-2-yl-(4-ethylphenyl)methyl]-1,2,4-triazole 1-[(S)-benzofuran-2-yl-(4-ethylp…
| 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) | 4.12 | 12.56 | -8.29 | 0 | 4 | 0 | 44 | 303.365 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP26A-1-E | Cytochrome P450 26A1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4500 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP26A_HUMAN | O43174 | Cytochrome P450 26A1, Human | 4500 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Vitamins |
