UCSF

ZINC53604746

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 26 Yes

Popular Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone 1-[(3S,5R)-3,5-dimethyl-1-piperi…

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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) 2.39 7.74 -42.66 1 5 1 37 380.475 8 ↓
Mid Mid (pH 6-8) 2.39 5.46 -9.81 0 5 0 36 379.467 8 ↓

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

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