UCSF

ZINC13516806

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) -3.74 -0.65 -360.84 2 15 -4 241 447.126 8
Mid Mid (pH 6-8) -3.74 -1.81 -224.75 3 15 -3 238 448.134 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOLB-1-E DNA Polymerase Beta (cluster #1 Of 3), Eukaryotic Eukaryotes 1300 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPOLB_HUMAN P06746 DNA Polymerase Beta, Human 1300 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Base-free sugar-phosphate removal via the single-nucleotide replacement pathway
Removal of DNA patch containing abasic residue
Resolution of AP sites via the single-nucleotide replacement pathway

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