UCSF

ZINC12138171

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 15 Yes

Popular Name: 4-[(2-Methylphenoxy)methyl]piperidinehydrochloride 4-[(2-Methylphenoxy)methyl]piper…

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CAS Numbers: 614731-14-5 , 63608-40-2 , [614731-14-5]

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) 2.60 -0.56 -40.31 2 2 1 26 206.309 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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

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