UCSF

ZINC13674110

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 15 No

Popular Name: (3aR,5S,6aR)-5-amino-3a,4,6,6a-tetrahydrocyclopenta[d]isoxazole-3,5-dicarboxylic (3aR,5S,6aR)-5-amino-3a,4,6,6a-t…

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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) -3.19 -0.63 -93.96 3 7 -1 129 213.169 2 ↓

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 233 0.62 Binding ≤ 10μM
Z104302-3-O Glutamate NMDA Receptor (cluster #3 Of 7), Other Other 370 0.60 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 370 0.60 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 370 0.60 Binding ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.