UCSF

ZINC37242077

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 Yes

Popular Name: N-methyl-1-(4-methylcyclohexyl)piperidin-4-amine N-methyl-1-(4-methylcyclohexyl)p…

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CAS Number: 1096836-70-2

Other Names:

MFCD11640986

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) 2.19 5.8 -31.69 2 2 1 16 211.373 2 ↓
Mid Mid (pH 6-8) 2.19 4.67 -36.08 2 2 1 20 211.373 2 ↓
Mid Mid (pH 6-8) 2.19 7.06 -100.89 3 2 2 21 212.381 2 ↓

Vendor Notes

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

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