UCSF

ZINC41584616

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-6-hydroxy-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]ben (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) 4.93 12.2 -40.96 2 5 1 68 465.932 4 ↓
Hi High (pH 8-9.5) 4.93 10.22 -46.57 0 5 -1 69 463.916 4 ↓
Mid Mid (pH 6-8) 4.93 9.45 -9.94 1 5 0 67 464.924 4 ↓
Mid Mid (pH 6-8) 4.93 12.78 -26.58 1 5 0 71 464.924 4 ↓

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

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