UCSF

ZINC02513559

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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CAS Numbers: 2457-76-3 , 400-76-0 , [400-76-0]

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 1.03 -48.96 2 3 -1 66 204.127 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 204-206° Matrix Scientific
Melting_Point 212-215? Alfa-Aesar
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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