UCSF

ZINC19436157

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 14 Yes

Popular Name: 1-methyl-4-(piperidin-3-ylmethyl)piperazine 1-methyl-4-(piperidin-3-ylmethyl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1220029-81-1 , 896054-84-5 , N/A , [1220029-81-1]

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) 0.44 4.19 -87.52 3 3 2 24 199.342 2 ↓
Mid Mid (pH 6-8) 0.44 3.78 -105.78 3 3 2 24 199.342 2 ↓
Mid Mid (pH 6-8) 0.44 1.73 -38.57 2 3 1 23 198.334 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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Rings

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