UCSF

ZINC14989318

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 14 Yes

Popular Name: {2-[3-(Trifluoromethoxy)phenyl]ethyl}amine {2-[3-(Trifluoromethoxy)phenyl]e…

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CAS Numbers: 467461-10-5 , [467461-10-5]

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) 1.87 3.11 -48.33 3 2 1 37 206.187 4 ↓
Hi High (pH 8-9.5) 1.84 5.82 -95.07 7 7 2 113 444.461 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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