UCSF

ZINC01849975

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 12 Yes

Popular Name: 2,3,6-trichlorobenzoic acid 2,3,6-trichlorobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3426-62-8 , 50-31-7 , [50-31-7]

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) 3.40 0.19 -48.14 0 2 -1 40 224.45 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 126 - 128 Enamine Building Blocks
MP 126...128 Enamine Building Blocks
mp 131 - 132 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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

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