UCSF

ZINC34027392

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 12 Yes

Popular Name: Ethyl(2R,4R)-4-methyl-2-piperidinecarboxylate Ethyl(2R,4R)-4-methyl-2-piperidi…

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CAS Number: 74892-82-3

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) 1.47 4.81 -36.82 2 3 1 43 172.248 3 ↓
Mid Mid (pH 6-8) 1.47 3.54 -4.82 1 3 0 38 171.24 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5494919 IBM Patent Data

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