UCSF

ZINC44351440

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 22 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) 7.31 11.47 -55.51 1 3 -1 60 305.438 12

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
G3PG-1-E Glyceraldehyde-3-phosphate Dehydrogenase, Glycosomal (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
G3PG_TRYCR P22513 Glyceraldehyde-3-phosphate Dehydrogenase, Glycosomal, Trycr 4000 0.34 Binding ≤ 10μM

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