UCSF

ZINC00113446

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) -0.06 4.42 -15.75 0 7 0 98 247.276 5

Vendor Notes

Note Type Comments Provided By
mechanism . ZereneX Building Blocks
Melting Pt.: 118-120?C Toronto Research Chemicals
ALOGPS_SOLUBILITY 3.03e+00 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks
Indications antiparasitic KeyOrganics Bioactives
Therapy antiprotozoal SMDC Iconix
biological_use Antitrichomonal, antimicrobial agent IBScreen Bioactives IBScreen Bioactives
Solubility: Chloroform, Methanol Toronto Research Chemicals
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : T3021 NIH Clinical Collection via PubChem
biological_use Protozoacide IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: T3021 NIH Clinical Collection via PubChem
mechanism The free nitro radical generated as a result of this reduction may be responsible for the antiprotozoal activity IBScreen Bioactives
mechanism The nitro group of tinidazole is reduced by cell extracts of Trichomonas. IBScreen Bioactives

Activity (Go SEA)

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