UCSF

ZINC25444132

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 No

Popular Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5- 3-[3-(4-methoxyphenyl)-5-thioxo-…

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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) 4.56 10.95 -22.07 2 8 0 90 466.563 6 ↓
Mid Mid (pH 6-8) 5.29 10.79 -54.92 1 8 -1 88 465.555 6 ↓

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