UCSF

ZINC05521251

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Substance Information

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

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

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CAS Number: 424798-45-8

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) 2.61 7.05 -44.24 0 4 -1 40 254.722 3 ↓
Mid Mid (pH 6-8) 1.88 7.12 -15.13 1 4 0 43 255.73 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 118 - 120 Enamine Building Blocks
MP 118...120 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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