UCSF

ZINC30677817

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 16 Yes

Popular Name: 5-(Trifluoromethyl)-1H-benzo[d]imidazole-2-carboxylic acid 5-(Trifluoromethyl)-1H-benzo[d]i…

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CAS Numbers: 2107-39-3 , [2107-39-3]

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) 1.98 4.9 -42.18 1 4 -1 69 229.137 2 ↓
Ref Reference (pH 7) 1.98 4.89 -43.88 1 4 -1 69 229.137 2 ↓
Hi High (pH 8-9.5) 3.48 6.44 -9.14 2 4 0 58 336.435 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 96% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

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

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