UCSF

ZINC03832614

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 16 No

Popular Name: 5-Nitro-2-trifluoromethylbenzimidazole 5-Nitro-2-trifluoromethylbenzimi…

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CAS Numbers: , 132502-93-3 , 327-19-5

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) 2.37 4.57 -27.27 0 5 -1 73 230.125 2 ↓
Mid Mid (pH 6-8) 2.37 5.01 -6.31 1 5 0 75 231.133 2 ↓
Mid Mid (pH 6-8) 2.37 4.56 -27.37 0 5 -1 73 230.125 2 ↓
Lo Low (pH 4.5-6) 2.37 5 -8.78 1 5 0 75 231.133 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 154-156° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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