| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 23 | Yes |
Popular Name: 4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol 4-[1-[(2,3-dimethoxyphenyl)methy…
| 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) | 2.46 | 4.9 | -15.23 | 1 | 6 | 0 | 69 | 311.341 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HG2A-1-E | HLA-DR Antigens-associated Invariant Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 900 | 0.37 | Binding ≤ 10μM |
| MIF-1-E | Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 900 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HG2A_HUMAN | P04233 | HLA-DR Antigens-associated Invariant Chain, Human | 900 | 0.37 | Binding ≤ 1μM |
| MIF_HUMAN | P14174 | Macrophage Migration Inhibitory Factor, Human | 750 | 0.37 | Binding ≤ 1μM |
| HG2A_HUMAN | P04233 | HLA-DR Antigens-associated Invariant Chain, Human | 900 | 0.37 | Binding ≤ 10μM |
| MIF_HUMAN | P14174 | Macrophage Migration Inhibitory Factor, Human | 750 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| MHC class II antigen presentation |
