UCSF

ZINC12359654

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 11 No

Popular Name: 3-Methylbenzamidoxime 3-Methylbenzamidoxime

Find On: PubMed — Wikipedia — Google

CAS Numbers: 40067-80-9 , 40067-82-1 , 85686-48-2

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) 0.68 1.83 -6.65 3 3 0 59 150.181 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 82-88? Alfa-Aesar
Melting_Point 82-88° Alfa-Aesar
Melting_Point 87-90? Alfa-Aesar
Melting_Point 87-90° Alfa-Aesar

Activity (Go SEA)

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