UCSF

ZINC20357002

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 22 No

Popular Name: Amitraz Amitraz

Find On: PubMed — Wikipedia — Google

CAS Numbers: 33089-61-1 , [33089-61-1]

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) 0.87 14.11 -37.41 1 3 1 27 294.422 4 ↓
Ref Reference (pH 7) 0.87 13.42 -29.66 1 3 1 27 294.422 4 ↓
Mid Mid (pH 6-8) 5.09 13.9 -6.66 0 3 0 28 293.414 4 ↓
Lo Low (pH 4.5-6) 0.87 13.79 -102.51 2 3 2 29 295.43 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Patent Database Links EP1661886; EP1700845; EP1967067; US2004053786; US2004235959; US2006111403; US2007027154; US2007225336; US2007264299; US2007269467; US2007270416; US2008275061; WO2005118552; WO2006023783; WO2006055922; WO2007089330; WO2008150393; WO2008154528 ChEBI
Indications insecticide, acaricide KeyOrganics Bioactives
Therapy scabicide SMDC Iconix

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

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