UCSF

ZINC41585031

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-[(4-ethylphenyl)methylene]-6-hydroxy (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) 5.03 10.97 -52.89 2 7 1 77 499.587 6 ↓
Hi High (pH 8-9.5) 5.03 9.29 -44.98 0 7 -1 78 497.571 6 ↓
Mid Mid (pH 6-8) 5.03 11.02 -50.06 2 7 1 77 499.587 6 ↓
Mid Mid (pH 6-8) 5.03 11.58 -33.94 1 7 0 79 498.579 6 ↓
Mid Mid (pH 6-8) 5.03 8.72 -11.85 1 7 0 75 498.579 6 ↓

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