UCSF

ZINC21987110

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 10 Yes

Popular Name: 8-Chloro[1,2,4]triazolo[4,3-a]pyrazine 8-Chloro[1,2,4]triazolo[4,3-a]py…

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CAS Numbers: 68774-77-6 , [68774-77-6]

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) 0.67 4.41 -12.9 0 4 0 43 154.56 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 195 - 197 Enamine Building Blocks
MP 195...197 Enamine Building Blocks
Melting_Point 215-220? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% 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.