UCSF

ZINC00186514

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 19 Yes

Popular Name: 1-Cyclohexyl-2-methyl-1H-benzimidazole-5-carboxylic acid 1-Cyclohexyl-2-methyl-1H-benzimi…

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CAS Number: 313376-16-8

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) 3.38 9.24 -56.29 0 4 -1 58 257.313 2 ↓
Mid Mid (pH 6-8) 3.38 9.67 -53 1 4 0 59 258.321 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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