UCSF

ZINC00561037

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 No

Popular Name: 5-cyclohexyl-4-ethyl-4H-1,2,4-triazole-3-thiol 5-cyclohexyl-4-ethyl-4H-1,2,4-tr…

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CAS Numbers: 482650-81-7 , [482650-81-7]

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) 1.82 8.04 -12.89 1 3 0 34 211.334 2 ↓
Hi High (pH 8-9.5) 2.54 7.6 -45.71 0 3 -1 31 210.326 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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