UCSF

ZINC00897369

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 14 No

Popular Name: Nitrofurazone Nitrofurazone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 59-87-0 , [59-87-0]

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.68 -0.73 -20.5 3 8 0 126 198.138 3 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.534 Bitter DB
ALOGPS_SOLUBILITY 2.68e-01 g/l DrugBank-approved
Melting Pt.: 235-237?C Toronto Research Chemicals
Purity 97% APIChem
Therapy antiinfective (topical) SMDC Iconix
Melting_Point ca 240? dec. Alfa-Aesar
Melting_Point ca 240° dec. Alfa-Aesar
Solubility: DMSO Toronto Research Chemicals
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50418-2-O Trypanosoma Brucei (cluster #2 Of 6), Other Other 3700 0.54 Functional ≤ 10μM
Z50466-7-O Trypanosoma Cruzi (cluster #7 Of 8), Other Other 8000 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50418 Z50418 Trypanosoma Brucei 310 0.65 Functional ≤ 10μM
Z50466 Z50466 Trypanosoma Cruzi 8000 0.51 Functional ≤ 10μM

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