UCSF

ZINC67446847

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 28 Yes

Popular Name: (3R)-1-[1-[(2,4-difluorophenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3R)-1-[1-[(2,4-difluorophenyl)m…

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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) 2.28 7.04 -40.21 2 5 1 46 396.502 7 ↓
Hi High (pH 8-9.5) 2.28 7.14 -43.35 2 5 1 46 396.502 7 ↓
Lo Low (pH 4.5-6) 2.28 9.33 -111.26 3 5 2 47 397.51 7 ↓

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

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