UCSF

ZINC02384078

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 16 Yes

Popular Name: 5-(trifluoromethyl)-1H-indole-2-carboxylic acid 5-(trifluoromethyl)-1H-indole-2-…

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CAS Numbers: 496946-78-2 , [496946-78-2]

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) 2.84 1.54 -43.37 1 3 -1 56 228.149 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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