UCSF

ZINC03018321

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 20 Yes

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

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CAS Numbers: , 953806-84-3

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) 3.77 10.82 -54.33 0 4 -1 58 271.34 2 ↓
Mid Mid (pH 6-8) 3.77 11.31 -56.49 1 4 0 59 272.348 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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