| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 13 | 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) | 1.99 | 5.22 | -8.43 | 0 | 3 | 0 | 33 | 180.251 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 3 | -5.82 | 1 | 3 | 0 | 38 | 180.251 | 1 | ↓ |
| 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 | 13 | 0.85 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81138 | Z81138 | ScN2a (Scrapie-infected Neuroblastoma Cells) | 13 | 0.85 | Functional ≤ 10μM |
