UCSF

ZINC29571808

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 17 Yes

Popular Name: (4aR,9R,10aR)-N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (4aR,9R,10aR)-N,9-dimethyl-2,3,4…

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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) 4.12 8.54 -34.61 2 1 1 17 230.375 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5180736; US5276053 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 317 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 317 0.54 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 317 0.54 Binding ≤ 10μM

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