UCSF

ZINC31343462

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 14 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) 1.08 4.07 -8.94 1 3 0 50 187.198 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TGM2-1-E Protein-glutamine Gamma-glutamyltransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TGM2_HUMAN P21980 Protein-glutamine Gamma-glutamyltransferase, Human 10000 0.50 Binding ≤ 10μM

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