UCSF

ZINC01699181

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 23 Yes

Popular Name: 4'-Fluoro-3-(4-phenyl-1-piperidyl)propiophenone hydrochloride; 4'-Fluoro-3-(4-phenylpiperidino)propiophenone hydrochloride; LS-125296; NSC 107338; Propiophenone, 4'-fluoro-3-(4-phenylpiperidino)-, hydrochloride 4'-Fluoro-3-(4-phenyl-1-piperidy…

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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) 4.39 2.85 -48.9 1 2 1 21 312.408 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-12-O Rattus Norvegicus (cluster #12 Of 12), Other Other 1560 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 1560 0.35 Functional ≤ 10μM

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