UCSF

ZINC41584563

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-6-hydroxy-4-methyl-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]m (2Z)-2-[(2-chloro-6-fluoro-pheny…

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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) 5.31 12.86 -40.84 2 5 1 68 479.959 4 ↓
Hi High (pH 8-9.5) 5.31 10.24 -10.09 1 5 0 67 478.951 4 ↓
Mid Mid (pH 6-8) 5.31 13.44 -26.65 1 5 0 71 478.951 4 ↓

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

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