UCSF

ZINC00406920

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 No

Popular Name: Isonicotinic acid N-oxide Isonicotinic acid N-oxide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13602-12-5 , [13602-12-5]

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) -0.64 2.75 -43.59 0 4 -1 66 138.102 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 268-271? Alfa-Aesar
Melting_Point 268-271° Alfa-Aesar
MP 270 - 271 Enamine Building Blocks
MP 270...271 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.