| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 14 | Yes |
Popular Name: (1S,3S,4S,5R)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic-acid-methyl-ester (1S,3S,4S,5R)-3-hydroxy-8-methyl…
| 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) | 0.44 | 2.95 | -37.35 | 2 | 4 | 1 | 51 | 200.258 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 0.59 | -5.76 | 1 | 4 | 0 | 50 | 199.25 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100251-1-O | Monoclonal Antibody (mAb) 2E2 (cluster #1 Of 1), Other | Other | 5200 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100251 | Z100251 | Monoclonal Antibody (mAb) 2E2 | 5200 | 0.53 | Binding ≤ 10μM |
