UCSF

ZINC02548662

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: 3-[3-(Trifluoromethyl)phenoxy]-azetidine hydrochloride 3-[3-(Trifluoromethyl)phenoxy]-a…

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CAS Numbers: 1188374-88-0 , 76263-23-5 , [1188374-88-0]

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) 2.50 4.31 -41.89 2 2 1 26 218.198 3 ↓
Hi High (pH 8-9.5) 2.50 2.61 -3.46 1 2 0 21 217.19 3 ↓
Hi High (pH 8-9.5) 3.75 4.74 -16.53 3 9 0 106 437.426 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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