UCSF

ZINC22441635

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 16 No

Popular Name: D-CPP-ene D-CPP-ene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 117414-74-1 , 117414-74-1; 137424-80-7 , 137424-80-7

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) -3.31 -0.82 -66.93 3 7 -1 120 249.183 4 ↓
Hi High (pH 8-9.5) -3.31 1.33 -136.4 2 7 -2 120 248.175 4 ↓
Mid Mid (pH 6-8) -3.31 0.29 -149.83 2 7 -2 123 248.175 4 ↓
Mid Mid (pH 6-8) -3.31 1.46 -84.87 4 7 0 122 250.191 4 ↓

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 40 0.65 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 40 0.65 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 40 0.65 Binding ≤ 10μM

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

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