UCSF

ZINC28571931

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 22 Yes

Other Names:

Ala-Pro-Glu

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) -4.07 0.77 -107.41 4 9 -1 157 314.318 7
Hi High (pH 8-9.5) -4.07 0.45 -114.6 3 9 -2 156 313.31 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-3-O Glutamate NMDA Receptor (cluster #3 Of 7), Other Other 2660 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 2660 0.35 Binding ≤ 10μM

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