UCSF

ZINC67981696

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 22 Yes

Popular Name: 2-isopropyl-5-methylcyclohexyl [(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetate 2-isopropyl-5-methylcyclohexyl […

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Other Names:

MFCD00693999

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) 0.65 3.6 -46.66 3 8 -1 127 296.266 2 ↓
Lo Low (pH 4.5-6) 0.65 4.12 -42.42 4 8 0 128 297.274 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.