UCSF

ZINC41584642

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Popular Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-6-hydroxy-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzofur (2Z)-2-[(2,3-dimethoxyphenyl)met…

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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) 4.00 10.53 -46.36 2 7 1 86 473.549 6 ↓
Hi High (pH 8-9.5) 4.00 9.04 -47.49 0 7 -1 88 471.533 6 ↓
Mid Mid (pH 6-8) 4.00 11.29 -38.41 1 7 0 89 472.541 6 ↓
Mid Mid (pH 6-8) 4.00 8.27 -11.45 1 7 0 85 472.541 6 ↓

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