UCSF

ZINC00091020

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: 4-Chloro-2-mercapto-6-(trifluoromethyl)-benzimidazole 4-Chloro-2-mercapto-6-(trifluoro…

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CAS Numbers: 175135-18-9 , [175135-18-9]

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) 2.89 5.64 -9.46 2 2 0 32 252.648 1 ↓
Mid Mid (pH 6-8) 3.62 5.34 -36.02 1 2 -1 29 251.64 1 ↓

Vendor Notes

Note Type Comments Provided By
MP >300° 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.