UCSF

ZINC26258273

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 27 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) 6.06 9.75 -84.88 4 4 2 52 399.325 5
Hi High (pH 8-9.5) 6.06 8.94 -13.58 2 4 0 50 397.309 5
Hi High (pH 8-9.5) 6.06 9.35 -44.06 3 4 1 51 398.317 5
Hi High (pH 8-9.5) 6.06 9.35 -44.33 3 4 1 51 398.317 5

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 4 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 3.5 0.44 Functional ≤ 10μM

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