UCSF

ZINC37428872

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 19 Yes

Popular Name: 2-{2-[3-(tert-butyl)phenoxy]ethyl}piperidinehydrochloride 2-{2-[3-(tert-butyl)phenoxy]ethy…

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CAS Numbers: 1219980-85-4 , N/A , [1219980-85-4]

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) 4.63 8.9 -38.92 2 2 1 26 262.417 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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