UCSF

ZINC27210537

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.45 10.48 -95.33 3 6 2 50 431.669 13
Hi High (pH 8-9.5) 4.45 8.17 -40.15 2 6 1 49 430.661 13
Mid Mid (pH 6-8) 4.45 10.49 -110.59 3 6 2 50 431.669 13

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 1333 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 1333 0.27 Functional ≤ 10μM

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