UCSF

ZINC13603405

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 19 Yes

Popular Name: (1S,2S)-2-(2-aminoethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide (1S,2S)-2-(2-aminoethyl)-N,N-die…

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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) 1.77 6.73 -52.22 3 3 1 48 261.389 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998023590A1 IBM Patent Data

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 10000 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 10000 0.37 Binding ≤ 10μM

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