UCSF

ZINC85344428

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2013 0 Yes

Popular Name: 4-(5-Methyl-4H-1,2,4-triazol-3-yl)aniline 4-(5-Methyl-4H-1,2,4-triazol-3-y…

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CAS Number: 518065-43-5

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 3.06 -8.05 3 4 0 68 174.207 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 179 - 181 Enamine Building Blocks
MP 179...181 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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

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