UCSF

ZINC82048445

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2012 38 No

Popular Name: Methyl 2-(4-(4-((4-((4-hydroxyphenyl)(phenyl)methyl)piperidin-1-yl)oxy)butyl)phenyl)-2-methylpropanoate Methyl 2-(4-(4-((4-((4-hydroxyph…

Find On: PubMed — Wikipedia — Google

CAS Number: 154477-55-1

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) 7.39 15.78 -11.1 1 5 0 59 515.694 12 ↓
Lo Low (pH 4.5-6) 7.39 16.91 -43.33 2 5 1 60 516.702 12 ↓

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

No pre-computed analogs available. Try a structural similarity search.