UCSF

ZINC66228086

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 25 No

Popular Name: 2-piperazineacetic acid, 1-[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]-3-oxo-, butyl ester 2-piperazineacetic acid, 1-[2-(h…

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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) 1.32 6.47 -16.4 1 7 0 79 353.463 8 ↓
Lo Low (pH 4.5-6) 1.32 7.76 -48.06 2 7 1 80 354.471 8 ↓

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

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