UCSF

ZINC00153874

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: 2-Methylsulfonyl-1-(2-trifluoromethylphenyl)-ethanone 2-Methylsulfonyl-1-(2-trifluorom…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 387350-34-7 , [387350-34-7]

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) 1.71 -0.3 -27.57 0 3 0 51 266.24 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 61-63° Matrix Scientific
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.