UCSF

ZINC49793959

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 34 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) 4.22 13.34 -15.81 1 6 0 70 467.654 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPCE-1-E Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPCE_PIG P23687 Prolyl Endopeptidase, Pig 1.05 0.37 Binding ≤ 1μM
PPCE_PIG P23687 Prolyl Endopeptidase, Pig 1.05 0.37 Binding ≤ 10μM

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