UCSF

ZINC20181715

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 13 Yes

Popular Name: 1-(4-(3-Aminopropyl)piperazin-1-yl)ethanone 1-(4-(3-Aminopropyl)piperazin-1-…

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CAS Numbers: 141516-24-7 , N/A , [141516-24-7]

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) -1.33 -0.17 -53.9 3 4 1 51 186.279 3 ↓
Mid Mid (pH 6-8) -1.33 2.16 -119.61 4 4 2 52 187.287 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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