UCSF

ZINC66191948

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 27 Yes

Popular Name: 2-piperazineacetic acid, 1-[[methyl(phenylmethyl)amino]acetyl]-3-oxo-, butyl ester 2-piperazineacetic acid, 1-[[met…

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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) 1.31 9.46 -53.36 2 7 1 80 376.477 10 ↓
Mid Mid (pH 6-8) 1.31 7.23 -18.85 1 7 0 79 375.469 10 ↓

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Rings

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

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