UCSF

ZINC00154312

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 15 Yes

Popular Name: 2-{[4-(Trifluoromethyl)pyridin-3-yl]thio}aceticacid 2-{[4-(Trifluoromethyl)pyridin-3…

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CAS Numbers: 387350-44-9 , [387350-44-9]

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) 1.37 4.51 -45.37 0 3 -1 53 236.194 4 ↓
Lo Low (pH 4.5-6) 1.37 4.79 -64.02 1 3 0 54 237.202 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 140-143° Matrix Scientific
Purity 97% Fluorochem
Warnings Irritant Matrix Scientific

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

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