UCSF

ZINC01601437

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 24 No

Popular Name: Denatonium benzoate Denatonium benzoate

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CAS Numbers: 3734-33-6 , 86398-53-0 , 90823-38-4 , [3734-33-6] , [90823-38-4]

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Vendors

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) -0.62 12.18 -36.26 1 3 1 29 325.476 7 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 9.978 Bitter DB
MP 163 TCI
Therapy denaturing agent, bitter principle SMDC Pharmakon

Activity (Go SEA)

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