UCSF

ZINC00169598

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 21 Yes

Popular Name: 6-oxo-1-[3-(trifluoromethyl)benzyl]-1,6-dihydro-3-pyridinecarboxylic acid 6-oxo-1-[3-(trifluoromethyl)benz…

Find On: PubMed — Wikipedia — Google

CAS Number: 338783-19-0

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) 2.64 3.35 -45.76 0 4 -1 62 296.224 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 204 KeyOrganics
MP 204° Fluorochem
Purity 95+% Fluorochem
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP1019391A1; WO1999018096A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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