UCSF

ZINC19015578

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2008 18 Yes

Popular Name: 4-Hydroxy-6-(trifluoromethyl)-3-quinoline-carboxylic acid 4-Hydroxy-6-(trifluoromethyl)-3-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 49713-47-5 , 641993-21-7 , 641993-21-7, 49713-47-5 , [641993-21-7]

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) 1.70 5.67 -43.4 0 4 -1 70 256.159 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% 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.