UCSF

ZINC00016356

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 5-Cyanouracil 5-Cyanouracil

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4425-56-3 , 5428-41-1 , [4425-56-3]

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) -0.70 -3.8 -33.54 1 5 -1 93 136.09 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
Melting_Point >300? dec. Alfa-Aesar
Melting_Point >300° dec. Alfa-Aesar

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPYD-2-E Dihydropyrimidine Dehydrogenase (cluster #2 Of 2), Eukaryotic Eukaryotes 200 0.94 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPYD_HUMAN Q12882 Dihydropyrimidine Dehydrogenase, Human 200 0.94 Binding ≤ 1μM
DPYD_HUMAN Q12882 Dihydropyrimidine Dehydrogenase, Human 200 0.94 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pyrimidine catabolism

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

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