UCSF

ZINC01692680

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: 2-Nitronicotinic acid 2-Nitronicotinic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 33225-72-8 , 33499-42-2 , [33225-72-8]

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) 0.52 0.79 -54.52 0 6 -1 98 167.1 2 ↓
Hi High (pH 8-9.5) 1.77 7.38 -93.79 5 6 2 87 375.476 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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