UCSF

ZINC41585018

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-hydroxy-2-[(4-isopropylphenyl)methyl (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) 5.62 11.45 -53.02 2 7 1 77 513.614 6 ↓
Hi High (pH 8-9.5) 5.62 9.76 -44.84 0 7 -1 78 511.598 6 ↓
Mid Mid (pH 6-8) 5.62 11.49 -50.42 2 7 1 77 513.614 6 ↓
Mid Mid (pH 6-8) 5.62 12.06 -33.84 1 7 0 79 512.606 6 ↓
Mid Mid (pH 6-8) 5.62 9.2 -11.71 1 7 0 75 512.606 6 ↓

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