UCSF

ZINC66199695

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 37 No

Popular Name: 2-piperazineacetic acid, 1-[[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]thioxomethyl]-3-oxo-, 2-phenoxyethyl ester 2-piperazineacetic acid, 1-[[[2-…

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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) 4.12 13.36 -21.08 2 8 0 97 525.671 13 ↓
Hi High (pH 8-9.5) 4.31 12.78 -60.6 1 8 -1 103 524.663 13 ↓

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

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