UCSF

ZINC03883165

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-Methyl-2-({[3-trifluoromethyl)phenyl]sulfonyl}amino)butanoic acid 3-Methyl-2-({[3-trifluoromethyl)…

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CAS Numbers: 250714-85-3 , [250714-85-3]

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) 0.78 4.53 -41.14 1 5 -1 86 324.3 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 127 - 129 KeyOrganics
MP 127-129° Fluorochem
Melting_Point 133-134? Alfa-Aesar
Melting_Point 133-134° Alfa-Aesar
Purity 95+% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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