UCSF

ZINC00001808

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 No

Popular Name: Nifuroxazide Nifuroxazide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 965-52-6 , [965-52-6]

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) 1.96 2.15 -30.52 2 8 0 121 275.22 4 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Antibacterial agent IBScreen Bioactives IBScreen Bioactives
biological_use Antibiotic IBScreen Bioactives
biological_use Antiseptic IBScreen Bioactives
Target Others Selleck Chemicals
Target STAT Selleck Chemicals
biological_use Used in treatment of colitis and diarrhoea IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50459-1-O Leishmania Donovani (cluster #1 Of 8), Other Other 2400 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50459 Z50459 Leishmania Donovani 2400 0.39 Functional ≤ 10μM

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