UCSF

ZINC42772459

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 Yes

Popular Name: 3-[2-(2-isopropylphenoxy)ethyl]piperidinehydrochloride 3-[2-(2-isopropylphenoxy)ethyl]p…

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CAS Numbers: 1220019-54-4 , N/A

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) 3.46 8.33 -40.2 2 2 1 26 248.39 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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