UCSF

ZINC19933061

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 12 Yes

Popular Name: 2-Piperazin-1-ylbutanoic acid dihydrochloride 2-Piperazin-1-ylbutanoic acid di…

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CAS Numbers: , 1051369-22-2 , 98998-53-9 , [1051369-22-2]

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) -1.71 2.94 -30.27 2 4 0 57 172.228 3 ↓
Lo Low (pH 4.5-6) -1.71 4.19 -91.11 3 4 1 61 173.236 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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