UCSF

ZINC19735210

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Substance Information

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

Popular Name: 1-(4-ethylbenzyl)piperazine 1-(4-ethylbenzyl)piperazine

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CAS Numbers: 340759-53-7 , 435341-97-2 , [435341-97-2]

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) 1.95 4.87 -39.38 2 2 1 20 205.325 3 ↓
Hi High (pH 8-9.5) 1.95 3.46 -2.52 1 2 0 15 204.317 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 307° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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