UCSF

ZINC05731588

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 19 No

Popular Name: 2-[2-(5-Mercapto-1H-1,2,4-triazol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione 2-[2-(5-Mercapto-1H-1,2,4-triazo…

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CAS Numbers: , 362004-43-1

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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) 1.60 5.65 -48.35 1 6 -1 81 273.297 3 ↓
Mid Mid (pH 6-8) 1.60 5.69 -28.68 2 6 0 82 274.305 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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