UCSF

ZINC13528061

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 Yes

Popular Name: [(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-car [(2S)-2-(piperazine-1-carbonyl)p…

Find On: PubMed — Wikipedia — Google

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) -0.97 5.81 -40.07 1 9 0 93 481.597 4 ↓

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 33 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPCE_PIG P23687 Prolyl Endopeptidase, Pig 33 0.30 Binding ≤ 1μM
PPCE_PIG P23687 Prolyl Endopeptidase, Pig 33 0.30 Binding ≤ 10μM

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