UCSF

ZINC66859586

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 27 No

Popular Name: 2-[1-[(5-tert-butyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]-4-piperidyl]-1-(4-methylpiperazin-1-yl)eth 2-[1-[(5-tert-butyl-2-thioxo-1,3…

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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) 2.18 6.57 -41 1 7 1 59 396.581 5 ↓
Hi High (pH 8-9.5) 2.18 4.14 -12.16 0 7 0 58 395.573 5 ↓
Mid Mid (pH 6-8) 2.18 8.92 -88.83 2 7 2 60 397.589 5 ↓

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

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