UCSF

ZINC27885129

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 19 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) 4.18 10.2 -30.29 1 1 1 4 250.365 0
Mid Mid (pH 6-8) 4.18 7.87 -4.27 0 1 0 3 249.357 0

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 710 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 710 0.45 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 710 0.45 Binding ≤ 10μM

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