UCSF

ZINC04638832

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 21 Yes

Popular Name: 1-(3,5-Dimethylphenyl)-2-methyl-1H-benzimidazole-5-carboxylic acid 1-(3,5-Dimethylphenyl)-2-methyl-…

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CAS Numbers: , 442531-52-4

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) 3.99 10.9 -54.27 0 4 -1 58 279.319 2 ↓
Mid Mid (pH 6-8) 3.99 11.34 -48.57 1 4 0 59 280.327 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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