UCSF

ZINC00173573

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 16 Yes

Popular Name: 4-(Ethoxycarbonyl)bicyclo-[2.2.2]octane-1-carboxylicacid 4-(Ethoxycarbonyl)bicyclo-[2.2.2…

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CAS Numbers: 834-50-4 , [834-50-4]

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) 1.28 6.72 -46.98 0 4 -1 66 225.264 4 ↓

Activity (Go SEA)

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