UCSF

ZINC69949162

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 24 Yes

Popular Name: [1-(2,2,2-trifluoroethyl)-4-piperidyl]methyl [1-(2,2,2-trifluoroethyl)-4-pipe…

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Download: MOL2 SDF SMILES Flexibase

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) 2.06 7.18 -17.63 0 6 0 60 342.321 6 ↓
Mid Mid (pH 6-8) 2.06 9.28 -52.63 1 6 1 61 343.329 6 ↓

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Rings

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

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