UCSF

ZINC71790597

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 22 Yes

Popular Name: tert-butyl 4-(2,3-dimethylphenyl)-3-oxopiperidine-1-carboxylate tert-butyl 4-(2,3-dimethylphenyl…

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CAS Number: 1354951-53-3

Other Names:

MFCD20502184

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) 3.08 9.21 -10.44 0 4 0 47 303.402 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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