UCSF

ZINC00154408

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 6-(Trifluoromethyl)pyridine-3-methanol 6-(Trifluoromethyl)pyridine-3-me…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1736-71-6 , 386704-04-7 , [386704-04-7]

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) 1.00 1.05 -7.35 1 2 0 33 177.125 2 ↓
Lo Low (pH 4.5-6) 1.00 1.31 -32.08 2 2 1 34 178.133 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 100-102°/0.8mm Oakwood Chemical
BP 100-102°/1mb Fluorochem
BP 100-102°/1mm Matrix Scientific
Purity 95% Fluorochem
Purity 97% Fluorochem
Warnings Irritant Matrix Scientific
melting_point Oil KeyOrganics

Activity (Go SEA)

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

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