UCSF

ZINC13454900

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 18 Yes

Popular Name: 3-(2-carboxyethyl)-4-chloro-1H-indole-2-carboxylic 3-(2-carboxyethyl)-4-chloro-1H-i…

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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) 2.47 5.43 -119.32 1 5 -2 96 265.652 4 ↓

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 6000 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 6000 0.41 Binding ≤ 10μM

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