UCSF

ZINC44306243

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 43 No

Other Names:

(+)-Myristinin D

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) 8.35 10.29 -16.3 5 7 0 127 582.693 12
Hi High (pH 8-9.5) 8.35 11.98 -117.38 3 7 -2 133 580.677 12
Mid Mid (pH 6-8) 8.35 11.02 -41.88 4 7 -1 130 581.685 12
Mid Mid (pH 6-8) 8.35 11.25 -48.91 4 7 -1 130 581.685 12

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOLB-3-E DNA Polymerase Beta (cluster #3 Of 3), Eukaryotic Eukaryotes 4300 0.17 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPOLB_RAT P06766 DNA Polymerase Beta, Rat 1200 0.19 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% )