UCSF

ZINC01382009

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 Yes

Popular Name: 1-phenyl-4-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxaline 1-phenyl-4-(trifluoromethyl)[1,2…

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CAS Number: 338773-43-6

Other Names:

MFCD00974659

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) 4.62 2.91 -13.9 0 4 0 43 314.27 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 214 - 216 KeyOrganics

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Rings

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

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