UCSF

ZINC29053986

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 24 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) 3.44 9.68 -170.53 5 4 3 47 351.946 11
Hi High (pH 8-9.5) 3.44 6.97 -56.06 3 4 1 45 349.93 11
Mid Mid (pH 6-8) 3.44 7.37 -95.63 4 4 2 46 350.938 11

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 74 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 27.3 0.44 Functional ≤ 10μM

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