UCSF

ZINC03311595

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 23 Yes

Popular Name: 1'-benzyl-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one 1'-benzyl-3,4-dihydrospiro[1-ben…

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CAS Number: 77264-89-2

Other Names:

MFCD02182972

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) 3.49 1.47 -45.45 1 3 1 30 308.401 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 0.208929613 0.59 Binding ≤ 1μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 0.208929613 0.59 Binding ≤ 10μM

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