UCSF

ZINC05521254

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 16 No

Popular Name: 5-[(2-Chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol 5-[(2-Chlorophenoxy)methyl]-4-me…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1177318-36-3 , 725221-36-3

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) 2.56 7.13 -47.94 0 4 -1 40 254.722 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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