UCSF

ZINC00082338

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 20 Yes

Popular Name: 2-piperazineacetic acid, 1-[(2-methoxyphenyl)methyl]-3-oxo- 2-piperazineacetic acid, 1-[(2-m…

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CAS Numbers: , 1033600-22-4 , [1033600-22-4]

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) 0.22 4.82 -48.51 2 6 0 83 278.308 5 ↓
Mid Mid (pH 6-8) 0.41 2.34 -79.64 1 6 -1 89 277.3 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.