UCSF

ZINC29412135

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 30 No

Popular Name: (5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)-1-piperidyl]methyl]-3-(4-methoxyphenyl)oxazolidin-2-one (5S)-5-[[4-hydroxy-4-(4-methoxyp…

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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) 3.30 7.48 -66.47 2 7 1 73 413.494 6 ↓
Hi High (pH 8-9.5) 3.30 5.15 -17.42 1 7 0 71 412.486 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0300272B1 IBM Patent Data

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 12 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 12 0.37 Binding ≤ 1μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 12 0.37 Binding ≤ 10μM

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