UCSF

ZINC27657080

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 18 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) 3.14 5.49 -43.61 3 2 1 37 238.31 0
Hi High (pH 8-9.5) 3.14 4.16 -8.33 2 2 0 32 237.302 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 730 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 730 0.48 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 730 0.48 Binding ≤ 10μM

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