UCSF

ZINC40698243

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 12 Yes

Popular Name: (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylicacid (2R,4R)-4-aminopyrrolidine-2,4-d…

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CAS Number: 169209-63-6

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) -4.82 -0.05 -64.88 4 6 -1 123 173.148 2 ↓
Mid Mid (pH 6-8) -4.82 0.2 -77.69 5 6 0 125 174.156 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 4400 0.62 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 4400 0.62 Binding ≤ 10μM

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

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