UCSF

ZINC00337224

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 12 Yes

Popular Name: 1-(thiophen-2-yl)cyclohexan-1-amine 1-(thiophen-2-yl)cyclohexan-1-amine

Find On: PubMed — Wikipedia — Google

CAS Number: 100133-00-4

Other Names:

MFCD04037522

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) 3.19 -1.88 -39.94 3 1 1 27 182.312 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0986555A1; WO1998055478A1 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 145 0.80 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 145 0.80 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 145 0.80 Binding ≤ 10μM

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