UCSF

ZINC66228906

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 27 No

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-oxo-2-[(2-phenylethyl)amino]ethyl]-, 2-methylpropyl ester 2-piperazineacetic acid, 3-oxo-1…

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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) 1.66 6.01 -18.94 2 7 0 88 375.469 10 ↓
Lo Low (pH 4.5-6) 1.66 7.32 -51.89 3 7 1 89 376.477 10 ↓

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

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