UCSF

ZINC05081945

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 32 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) 4.93 -2.1 -69.85 2 5 -1 89 420.444 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8T8E9-1-E UDP-galactose 4-epimerase (cluster #1 Of 1), Eukaryotic Eukaryotes 6800 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8T8E9_9TRYP Q8T8E9 UDP-galactose 4-epimerase, 9tryp 6800 0.23 Binding ≤ 10μM

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