UCSF

ZINC14807085

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 13 No

Popular Name: 1-(2-Bromobutanoyl)-2-methylpiperidine 1-(2-Bromobutanoyl)-2-methylpipe…

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CAS Numbers: , 81042-27-5 , [81042-27-5]

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) 2.50 6.32 -5.48 0 2 0 20 248.164 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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