| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 31 | Yes |
| 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) | 1.77 | 8.84 | -61.92 | 1 | 7 | -1 | 107 | 488.344 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104293-1-O | Integrin Alpha-4/beta-1 (cluster #1 Of 1), Other | Other | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104293 | Z104293 | Integrin Alpha-4/beta-1 | 0.48 | 0.42 | Binding ≤ 1μM |
| Z104293 | Z104293 | Integrin Alpha-4/beta-1 | 0.48 | 0.42 | Binding ≤ 10μM |
