UCSF

ZINC89401131

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2013 0 Yes

Popular Name: Mebendazole Mebendazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 31431-39-7 , [31431-39-7]

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) 3.06 6.04 -14.75 2 6 0 87 295.298 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.87e-02 g/l DrugBank-approved
MP 304 - 306 Enamine Building Blocks
MP 304...306 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
biological_use Broad-spectrum anthelmintic IBScreen Bioactives
mechanism Glucose uptake inhibitor IBScreen Bioactives
mechanism Microtubule inhibitor IBScreen Bioactives IBScreen Bioactives

Activity (Go SEA)

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

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