UCSF

ZINC04245073

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 Yes

Popular Name: 4-Chloro-3-piperidin-1-yl-benzoic acid methyl ester 4-Chloro-3-piperidin-1-yl-benzoi…

Find On: PubMed — Wikipedia — Google

CAS Number: 151296-67-2

Other Names:

MFCD06740053

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) 3.72 0.34 -5.04 0 3 0 29 253.729 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5364868 IBM Patent Data

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