UCSF

ZINC41585000

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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]-6-hydroxy-4-methyl-2-(o-tolylmethylene (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) 4.89 10.47 -47.8 2 7 1 77 499.587 5 ↓
Hi High (pH 8-9.5) 4.89 8.97 -46.35 0 7 -1 78 497.571 5 ↓
Mid Mid (pH 6-8) 4.89 11.23 -30.98 1 7 0 79 498.579 5 ↓
Mid Mid (pH 6-8) 4.89 8.21 -10.93 1 7 0 75 498.579 5 ↓
Mid Mid (pH 6-8) 4.89 10.46 -49.2 2 7 1 77 499.587 5 ↓

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