UCSF

ZINC02568101

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-Fluoro-2-methoxybenzoic acid 4-Fluoro-2-methoxybenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 204707-42-6 , 395-82-4 , [395-82-4]

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) 2.08 2.01 -49.98 0 3 -1 49 169.131 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 134-136? Alfa-Aesar
MP 134-136° Fluorochem
MP 137 TCI
Purity 95+% Matrix Scientific
Purity 98% 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.