UCSF

ZINC12955696

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 14 Yes

Popular Name: 2-Hydroxy-6-(trifluoromethyl)nicotinic acid 2-Hydroxy-6-(trifluoromethyl)nic…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 191595-63-8 , [191595-63-8]

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) 1.31 0.3 -42.63 1 4 -1 73 206.099 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 161 - 163 Enamine Building Blocks
MP 161...163 Enamine Building Blocks
MP 165-167° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95%+ Fluorochem
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.