UCSF

ZINC66450388

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 24 No

Popular Name: 1-(4-ethylpiperazin-1-yl)-2-[1-[(2-thioxooxazolidin-3-yl)methyl]-4-piperidyl]ethanone 1-(4-ethylpiperazin-1-yl)-2-[1-[…

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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) 1.46 6.73 -50.74 1 6 1 40 355.528 5 ↓
Mid Mid (pH 6-8) 1.46 4.31 -19.79 0 6 0 39 354.52 5 ↓
Mid Mid (pH 6-8) 1.46 6.54 -53.43 1 6 1 40 355.528 5 ↓
Mid Mid (pH 6-8) 1.46 8.94 -97.47 2 6 2 42 356.536 5 ↓

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

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