UCSF

ZINC01385084

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 29 Yes

Popular Name: [7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl][3-(trifluoromethyl)phenyl]methanone [7-(trifluoromethyl)-2,3,3a,4-te…

Find On: PubMed — Wikipedia — Google

CAS Number: 860785-70-2

Other Names:

MFCD04124551

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) 5.12 3.25 -13.44 0 3 0 23 414.349 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 100 - 102 KeyOrganics

Activity (Go SEA)

Rings

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

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