UCSF

ZINC19737252

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 15 Yes

Popular Name: 1-[4-(Methylthio)benzyl]piperazine 1-[4-(Methylthio)benzyl]piperazine

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CAS Numbers: 55212-35-6 , [55212-35-6]

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) 1.47 4.48 -41.69 2 2 1 20 223.365 3 ↓
Hi High (pH 8-9.5) 1.47 3.07 -3.48 1 2 0 15 222.357 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 53 - 55 Enamine Building Blocks
MP 53...55 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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