UCSF

ZINC66858453

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 28 Yes

Popular Name: 2-(4-ethylphenoxy)-1-[4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-1-piperidyl]ethanone 2-(4-ethylphenoxy)-1-[4-[2-(4-me…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.73 11.49 -55.83 1 6 1 54 388.532 6 ↓
Mid Mid (pH 6-8) 2.73 9.15 -18.37 0 6 0 53 387.524 6 ↓

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

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