UCSF

ZINC66450391

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 29 Yes

Popular Name: (4R)-1-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-1-piperidyl]methyl]-4-phenyl-azetidin-2-one (4R)-1-[[4-[2-(4-ethylpiperazin-…

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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) 2.24 10.88 -43.96 1 6 1 48 399.559 6 ↓
Hi High (pH 8-9.5) 2.24 8.35 -12.56 0 6 0 47 398.551 6 ↓
Mid Mid (pH 6-8) 2.24 13.1 -91.94 2 6 2 49 400.567 6 ↓

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

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