UCSF

ZINC52905616

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 28 Yes

Popular Name: (2S)-2-[4-[(1S)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl]piperazin-1-yl]-N-[(1S)-1-methylbutyl]propa (2S)-2-[4-[(1S)-2-(3-fluoroanili…

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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) 2.71 4.79 -13.8 2 6 0 65 392.519 8 ↓
Lo Low (pH 4.5-6) 2.71 7.08 -40.97 3 6 1 66 393.527 8 ↓

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

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