UCSF

ZINC20216304

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 11 Yes

Popular Name: 2-(Piperazin-1-yl)propionic acid dihydrate 2-(Piperazin-1-yl)propionic acid…

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CAS Numbers: 1823183-72-7 , 824414-03-1 , 825594-88-5

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) -2.24 2.19 -30.38 2 4 0 57 158.201 2 ↓
Lo Low (pH 4.5-6) -2.24 3.53 -90.07 3 4 1 61 159.209 2 ↓

Vendor Notes

Note Type Comments Provided By
MP >210° Oakwood Chemical
Warnings IRRITANT Matrix Scientific

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