UCSF

ZINC20624581

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 33 No

Popular Name: (2Z)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-3-o (2Z)-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 7.5 -31.09 1 8 0 89 454.523 7 ↓
Hi High (pH 8-9.5) 2.83 5.15 -42.45 0 8 -1 87 453.515 7 ↓
Mid Mid (pH 6-8) 2.83 6.75 -49.37 2 8 1 86 455.531 7 ↓
Mid Mid (pH 6-8) 2.83 7.53 -48.09 1 8 0 89 454.523 7 ↓
Mid Mid (pH 6-8) 2.83 4.37 -16.39 1 8 0 85 454.523 7 ↓
Lo Low (pH 4.5-6) 2.83 6.72 -48.77 2 8 1 86 455.531 7 ↓

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