UCSF

ZINC12649564

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 17 Yes

Popular Name: 4-(Trifluoromethyl)quinoline-2-carboxylic acid 4-(Trifluoromethyl)quinoline-2-c…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 588702-67-4 , [588702-67-4]

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) 3.10 5.32 -51.47 0 3 -1 53 240.16 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 142 - 143 MolMall (formerly Molecular Diversity Preservation International)
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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