In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2004 | 31 | Yes |
Popular Name: sophoraflavanone G sophoraflavanone G
None
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) | 6.12 | -2.78 | -13.85 | 4 | 6 | 0 | 107 | 424.493 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
BACE1-2-E | Beta-secretase 1 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 5200 | 0.24 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
BACE1_HUMAN | P56817 | Beta-secretase 1, Human | 1100 | 0.27 | Binding ≤ 10μM |