UCSF

ZINC13561231

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 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) 0.62 5.53 -65.39 4 5 1 87 301.414 6
Hi High (pH 8-9.5) 0.62 4.52 -51.55 4 5 1 84 301.414 6
Hi High (pH 8-9.5) 0.62 4.22 -11.76 3 5 0 82 300.406 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPP2-2-E Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic Eukaryotes 3 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPP2_HUMAN Q9UHL4 Dipeptidyl Peptidase II, Human 2.7 0.55 Binding ≤ 1μM
DPP2_HUMAN Q9UHL4 Dipeptidyl Peptidase II, Human 2.7 0.55 Binding ≤ 10μM

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