UCSF

ZINC41585009

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-hydroxy-2-(p-tolylmethylene)benzofur (2Z)-7-[[4-(1,3-benzodioxol-5-yl…

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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) 4.56 10.21 -53.05 2 7 1 77 485.56 5 ↓
Hi High (pH 8-9.5) 4.56 8.52 -45.21 0 7 -1 78 483.544 5 ↓
Mid Mid (pH 6-8) 4.56 10.25 -50.06 2 7 1 77 485.56 5 ↓
Mid Mid (pH 6-8) 4.56 10.82 -34.04 1 7 0 79 484.552 5 ↓
Mid Mid (pH 6-8) 4.56 7.96 -12.07 1 7 0 75 484.552 5 ↓

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