UCSF

ZINC34624495

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 30 No

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) -3.52 -1.01 -365.44 3 16 -4 261 485.179 8
Mid Mid (pH 6-8) -3.52 -2.17 -227.63 4 16 -3 258 486.187 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 5000 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPOLB_HUMAN P06746 DNA Polymerase Beta, Human 5000 0.25 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% )