UCSF

ZINC27738346

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 19 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) 1.37 2.72 -45.21 5 5 1 86 272.413 9
Hi High (pH 8-9.5) 1.37 2.39 -8.67 4 5 0 84 271.405 9

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TPP2-1-E Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TPP2_RAT Q64560 Tripeptidyl Aminopeptidase, Rat 3000 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Antigen processing: Ubiquitination & Proteasome degradation

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