UCSF

ZINC04638837

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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CAS Numbers: , 442531-63-7

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) 3.91 10.98 -53.36 0 4 -1 58 265.292 2 ↓
Lo Low (pH 4.5-6) 3.91 11.46 -54.56 1 4 0 59 266.3 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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