UCSF

ZINC36144348

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 12 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) -2.00 1.05 -80.4 2 5 0 81 187.2 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PYR1-1-E Dihydroorotase (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.80 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PYR1_HUMAN P27708 Dihydroorotase, Human 140 0.80 Binding ≤ 1μM
PYR1_HUMAN P27708 Dihydroorotase, Human 140 0.80 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pyrimidine biosynthesis

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