UCSF

ZINC39140985

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2010 15 Yes

Popular Name: 1-(4-Methyl-piperidin-1-ylmethyl)-cyclohexylamine 1-(4-Methyl-piperidin-1-ylmethyl…

Find On: PubMed — Wikipedia — Google

CAS Number: 220137-80-4

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) 2.88 6.52 -116.52 4 2 2 32 212.381 2 ↓
Mid Mid (pH 6-8) 2.88 7 -29.51 3 2 1 30 211.373 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0998469A1; WO1999005133A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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