UCSF

ZINC00597204

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 29 Yes

Popular Name: 1-Piperidinebutanoic acid, 4-((4-chlorophenyl)-2-pyridinylmethoxy)-, ethyl ester, mono(4-methylbenzenesulfonate); Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate; LS-114357 1-Piperidinebutanoic acid, 4-((4…

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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) 3.14 1.59 -47.71 1 5 1 52 417.957 10 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4929618 IBM Patent Data

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