UCSF

ZINC08698430

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 14 Yes

Popular Name: 3-Amino-4-(trifluoromethyl)benzoic acid 3-Amino-4-(trifluoromethyl)benzo…

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CAS Numbers: 125483-00-3 , 4857-33-4 , [125483-00-3]

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) 2.15 3.14 -44.46 2 3 -1 66 204.127 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 203-205° Matrix Scientific
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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