UCSF

ZINC57914162

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 24 Yes

Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone 2-[4-(2,2-difluoroethyl)piperazi…

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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) 2.69 6.15 -13.21 0 4 0 27 337.414 4 ↓
Lo Low (pH 4.5-6) 2.69 8.27 -40.69 1 4 1 28 338.422 4 ↓

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

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