| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 29 | Yes |
Popular Name: N-[5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide N-[5-bromo-2-[4-(2-hydroxyethyl)…
| 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) | 4.09 | 7.51 | -10.64 | 2 | 5 | 0 | 56 | 454.368 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BACE1-1-E | Beta-secretase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 79 | 0.34 | Binding ≤ 10μM |
| Z80331-1-O | N2a (Neuroblastoma Cells) (cluster #1 Of 1), Other | Other | 900 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BACE1_HUMAN | P56817 | Beta-secretase 1, Human | 79 | 0.34 | Binding ≤ 1μM |
| BACE1_HUMAN | P56817 | Beta-secretase 1, Human | 79 | 0.34 | Binding ≤ 10μM |
| Z80331 | Z80331 | N2a (Neuroblastoma Cells) | 2370 | 0.27 | Functional ≤ 10μM |
