UCSF

ZINC41584644

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 4.94 13.14 -42.2 2 5 1 68 439.535 5 ↓
Hi High (pH 8-9.5) 4.94 11.16 -47.74 0 5 -1 69 437.519 5 ↓
Mid Mid (pH 6-8) 4.94 10.42 -9.7 1 5 0 67 438.527 5 ↓
Mid Mid (pH 6-8) 4.94 13.71 -26.44 1 5 0 71 438.527 5 ↓

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

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