UCSF

ZINC00154828

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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) 0.74 2.56 -20.35 0 4 1 34 299.357 3

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 250? dec. Alfa-Aesar
Melting_Point ca 250° dec. Alfa-Aesar

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 300 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 300 0.40 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )