UCSF

ZINC13674984

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 Yes

Popular Name: 4-[4-[(3-ethyl-4-methyl-phenyl)amino]-2,6-dioxo-3H-pyrimidin-1-yl]butyl 4-[4-[(3-ethyl-4-methyl-phenyl)a…

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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) 3.29 8.85 -13.64 2 9 0 106 430.505 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 71 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 71 0.32 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 71 0.32 Binding ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.