UCSF

ZINC38580692

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 15 Yes

Popular Name: 3-(4-(Trifluoromethyl)phenoxy)azetidine 3-(4-(Trifluoromethyl)phenoxy)az…

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CAS Numbers: 1236862-38-6 , 76263-21-3

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) 2.52 4.29 -43.75 2 2 1 26 218.198 3 ↓
Hi High (pH 8-9.5) 2.52 2.59 -5 1 2 0 21 217.19 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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

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