UCSF

ZINC29322938

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 26 Yes

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) 4.88 11.45 -55.2 0 3 -1 53 362.405 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PYRD-1-E Dihydroorotate Dehydrogenase (cluster #1 Of 1), Eukaryotic Eukaryotes 390 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PYRD_HUMAN Q02127 Dihydroorotate Dehydrogenase, Human 390 0.35 Binding ≤ 1μM
PYRD_HUMAN Q02127 Dihydroorotate Dehydrogenase, Human 390 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pyrimidine biosynthesis

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