UCSF

ZINC00128630

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 18 Yes

Popular Name: 1-Propanone, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-, hydrochloride; 4-Methoxy-beta-(1-piperidyl)propiophenone hydrochloride; LS-125413; NSC 35282; NSC 70237; Propiophenone, 4'-methoxy-3-piperidino-, hydrochloride; Propiophenone, 4'-methoxy-beta-(1-piperid 1-Propanone, 1-(4-methoxyphenyl)…

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Other Names:

MFCD01576240

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) 2.73 1.63 -41.62 1 3 1 30 248.346 5 ↓

Vendor Notes

Note Type Comments Provided By
mp 330 MolMall (formerly Molecular Diversity Preservation International)
PUBCHEM_PATENT_ID US4277474; US4563454 IBM Patent Data

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