UCSF

ZINC04638841

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 20 Yes

Popular Name: 1-(3,4-Difluorophenyl)-1H-benzimidazole-5-carboxylic acid 1-(3,4-Difluorophenyl)-1H-benzim…

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CAS Numbers: , 442531-67-1

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) 3.13 9.77 -52.28 0 4 -1 58 273.218 2 ↓
Lo Low (pH 4.5-6) 3.13 10.25 -59.78 1 4 0 59 274.226 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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