UCSF

ZINC39299078

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 15 Yes

Popular Name: 3-[2-(trifluoromethyl)phenoxy]azetidine 3-[2-(trifluoromethyl)phenoxy]az…

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CAS Numbers: 76263-24-6 , 82622-46-6 , [82622-46-6]

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) 2.48 4.39 -44.32 2 2 1 26 218.198 3 ↓
Hi High (pH 8-9.5) 2.48 2.69 -4.96 1 2 0 21 217.19 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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