UCSF

ZINC41584591

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Substance Information

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

Popular Name: (2Z)-6-hydroxy-4-methyl-2-[(E)-3-phenylprop-2-enylidene]-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]b (2Z)-6-hydroxy-4-methyl-2-[(E)-3…

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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) 5.32 13.78 -41.84 2 5 1 68 453.562 5 ↓
Mid Mid (pH 6-8) 5.32 14.35 -26.26 1 5 0 71 452.554 5 ↓
Mid Mid (pH 6-8) 5.32 11.06 -9.62 1 5 0 67 452.554 5 ↓

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

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