UCSF

ZINC00169302

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 13 Yes

Popular Name: 4-fluoro-1-benzothiophene-2-carboxylic acid 4-fluoro-1-benzothiophene-2-carb…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 23967-57-9 , 310466-37-6 , [23967-57-9] , [310466-37-6]

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) 2.83 0.48 -52.7 0 2 -1 40 195.194 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 214 - 216 Enamine Building Blocks
MP 214...216 Enamine Building Blocks
MP 215 - 217 Enamine Building Blocks
melting_point 217 - 220 KeyOrganics
MP 217-220° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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