| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2006 | 21 | Yes |
Popular Name: Benzoyl ecgonine Benzoyl ecgonine
None
| 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) | 2.25 | 1.83 | -60.05 | 1 | 5 | 0 | 70 | 289.331 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100251-1-O | Monoclonal Antibody (mAb) 2E2 (cluster #1 Of 1), Other | Other | 43 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100251 | Z100251 | Monoclonal Antibody (mAb) 2E2 | 43 | 0.49 | Binding ≤ 1μM |
| Z100251 | Z100251 | Monoclonal Antibody (mAb) 2E2 | 43 | 0.49 | Binding ≤ 10μM |
