UCSF

ZINC20281327

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 11 Yes

Popular Name: 1-Methyl-2-oxopiperidine-4-carboxylic acid 1-Methyl-2-oxopiperidine-4-carbo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1000932-09-1 , [100093-20-7] , [1000932-09-1]

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) -0.32 2.51 -47.69 0 4 -1 60 156.161 1 ↓
Lo Low (pH 4.5-6) -0.32 1.37 -11.77 1 4 0 58 157.169 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 161 - 163 Enamine Building Blocks
MP 161...163 Enamine Building Blocks
MP 163 - 165 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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