UCSF

ZINC03870321

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 12 Yes

Popular Name: 2,3-Piperidine dicarboxylic acid 2,3-Piperidine dicarboxylic acid

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CAS Number: 17079-18-4

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) -2.11 -1.32 -95.09 2 5 -1 96 172.16 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 10000 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 10000 0.58 Binding ≤ 10μM

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