UCSF

ZINC02572876

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 4-Hydroxy-2-(trifluoromethyl)benzoic acid 4-Hydroxy-2-(trifluoromethyl)ben…

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CAS Numbers: 320-32-1 , [320-32-1]

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) 1.85 2.09 -48.73 1 3 -1 60 205.111 2 ↓
Hi High (pH 8-9.5) 4.25 6.89 -78.38 2 10 -1 148 563.741 7 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 159-161? Alfa-Aesar
Melting_Point 159-161° Alfa-Aesar
Purity 98% Fluorochem

Activity (Go SEA)

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