UCSF

ZINC02525298

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 3-Bromo-4-fluorophenylacetic acid 3-Bromo-4-fluorophenylacetic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 194019-11-9 , [194019-11-9]

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) 2.26 5.58 -42.47 0 2 -1 40 232.028 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 64 - 66 Enamine Building Blocks
MP 64...66 Enamine Building Blocks
Melting_Point 65-69? dec Alfa-Aesar
MP 67 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% 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.