| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 21 | 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) | 2.96 | 2.2 | -14.06 | 0 | 6 | 0 | 78 | 281.271 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 188 - 189 | MolMall (formerly Molecular Diversity Preservation International) |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81138-2-O | ScN2a (Scrapie-infected Neuroblastoma Cells) (cluster #2 Of 3), Other | Other | 3 | 0.57 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81138 | Z81138 | ScN2a (Scrapie-infected Neuroblastoma Cells) | 3 | 0.57 | Functional ≤ 10μM |
