UCSF

ZINC47845110

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2010 15 Yes

Popular Name: 4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxylic acid 4-(trifluoromethyl)bicyclo[2.2.2…

Find On: PubMed — Wikipedia — Google

CAS Number: 14234-09-4

Other Names:

MFCD16547762

MFCD19442691

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) 1.97 6.91 -42.91 0 2 -1 40 221.198 2 ↓
Lo Low (pH 4.5-6) 1.97 4.96 -5.05 1 2 0 37 222.206 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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