UCSF

ZINC00001420

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 23 Yes

Popular Name: (+)-trans-3-((p-Methoxyphenoxy)methyl)-1-methyl-4-phenylpiperidine; C20H25NO2; FG 4962; FG 4963; FG 8043; FG 8044; Femoxetina [INN-Spanish]; Femoxetine [INN]; Femoxetinum [INN-Latin]; LS-176043; Piperidine, 3-((4-methoxyphenoxy)methyl)-1-methyl-4-phenyl-, (+)-trans-3-((p-Methoxyphenoxy)m…

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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) 4.65 2.05 -40.62 1 3 1 22 312.433 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0123832A1; US4571424 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 8 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 410 0.39 Functional ≤ 10μM

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