UCSF

ZINC15086128

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 15 No

Popular Name: 4-Amino-5-(2,5-difluorophenyl)-4H-1,2,4-triazole-3-thiol 4-Amino-5-(2,5-difluorophenyl)-4…

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CAS Numbers: , 874814-80-9

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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) 1.93 5.38 -42.56 2 4 -1 57 227.219 1 ↓
Mid Mid (pH 6-8) 1.20 5.34 -9.69 3 4 0 60 228.227 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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