UCSF

ZINC04213419

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 18 Yes

Popular Name: 1-((1R,2S)-2-Methyl-1-(thiophen-2-yl)cyclohexyl)piperidine 1-((1R,2S)-2-Methyl-1-(thiophen-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 68134-81-6 , [68134-81-6]

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) 4.96 1.5 -26.26 1 1 1 4 264.458 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5972952 IBM Patent Data

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