UCSF

ZINC37857709

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 33 No

Popular Name: (2E)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-3-o (2E)-7-[(4-ethylpiperazin-1-yl)m…

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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) 2.83 6.71 -46.61 2 8 1 86 455.531 7 ↓
Hi High (pH 8-9.5) 2.83 5.2 -44.36 0 8 -1 87 453.515 7 ↓
Mid Mid (pH 6-8) 2.83 6.7 -49.48 2 8 1 86 455.531 7 ↓
Mid Mid (pH 6-8) 2.83 4.43 -12.31 1 8 0 85 454.523 7 ↓
Mid Mid (pH 6-8) 2.83 7.47 -32.59 1 8 0 89 454.523 7 ↓

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