In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2005 | 31 | Yes |
Popular Name: BRD-A21723284-066-01-7 BRD-A21723284-066-01-7
Find On: PubMed — Wikipedia — Google
CAS Number: 111555-58-9
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) | 3.90 | 7.05 | -58.38 | 3 | 5 | 1 | 67 | 416.497 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3981 | 0.24 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50425 | Z50425 | Plasmodium Falciparum | 3162.27766 | 0.25 | Functional ≤ 10μM |