UCSF

ZINC01382014

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 18 Yes

Popular Name: 4-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-1-amine 4-(trifluoromethyl)[1,2,4]triazo…

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CAS Number: 338773-46-9

Other Names:

MFCD00974662

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) 2.31 6.65 -13.51 2 5 0 69 253.187 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 335 - 338 KeyOrganics

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Rings

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

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