UCSF

ZINC14089743

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) 6.79 11.33 -46.82 1 3 -1 60 455.703 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPCE-2-E Prolyl Endopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 9750 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPCE_HUMAN P48147 Prolyl Endopeptidase, Human 9750 0.21 Binding ≤ 10μM

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