| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 11th, 2010 | 39 | Yes |
Popular Name: N-[2-[4-[3-(N-phenylanilino)propyl]piperazin-1-yl]ethyl]acridin-9-amine N-[2-[4-[3-(N-phenylanilino)prop…
| 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) | 7.17 | 16.76 | -77.67 | 3 | 5 | 2 | 37 | 517.721 | 10 | ↓ |
| Hi High (pH 8-9.5) | 7.17 | 14.48 | -25.95 | 2 | 5 | 1 | 36 | 516.713 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81138-1-O | ScN2a (Scrapie-infected Neuroblastoma Cells) (cluster #1 Of 3), Other | Other | 75 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81138 | Z81138 | ScN2a (Scrapie-infected Neuroblastoma Cells) | 75 | 0.26 | Functional ≤ 10μM |
