| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 14th, 2008 | 32 | Yes |
Popular Name: LEACHIANONE A LEACHIANONE A
Find On: PubMed — Wikipedia — Google
CAS Numbers: 97938-31-3 , [97938-31-3]
| 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) | 6.19 | 7.01 | -11.35 | 3 | 6 | 0 | 96 | 438.52 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BACE1-2-E | Beta-secretase 1 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 8400 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BACE1_HUMAN | P56817 | Beta-secretase 1, Human | 3900 | 0.24 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.