UCSF

ZINC19735579

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 16 Yes

Popular Name: 2-(piperazin-1-ylmethyl)-1H-1,3-benzodiazole dihydrochloride 2-(piperazin-1-ylmethyl)-1H-1,3-…

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CAS Numbers: 1177362-39-8 , 59052-85-6 , [59052-85-6]

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) 0.63 2.17 -44.53 3 4 1 49 217.296 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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Analogs ( Draw Identity 99% 90% 80% 70% )