| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 34 | No |
| 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) | 4.30 | 12.94 | -56.67 | 0 | 7 | -1 | 98 | 474.514 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ENPP2-1-E | Autotaxin (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2900 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ENPP2_HUMAN | Q13822 | Autotaxin, Human | 248 | 0.27 | Binding ≤ 1μM |
| ENPP2_HUMAN | Q13822 | Autotaxin, Human | 248 | 0.27 | Binding ≤ 10μM |
