UCSF

ZINC38491911

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 49 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) 5.73 10.87 -58.19 4 13 -1 193 696.129 10
Lo Low (pH 4.5-6) 5.73 10.38 -30.59 5 13 0 190 697.137 10

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 5000 0.15 Binding ≤ 10μM
Z50418-2-O Trypanosoma Brucei (cluster #2 Of 6), Other Other 4400 0.15 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8T8E9_9TRYP Q8T8E9 UDP-galactose 4-epimerase, 9tryp 5000 0.15 Binding ≤ 10μM
Z50418 Z50418 Trypanosoma Brucei 4400 0.15 Functional ≤ 10μM

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