UCSF

ZINC41584995

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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-[(3-methoxyphenyl)methylen (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) 4.52 9.52 -46.21 2 8 1 86 515.586 6 ↓
Hi High (pH 8-9.5) 4.52 7.8 -48.96 0 8 -1 87 513.57 6 ↓
Mid Mid (pH 6-8) 4.52 9.48 -51.98 2 8 1 86 515.586 6 ↓
Mid Mid (pH 6-8) 4.52 10.09 -31.47 1 8 0 89 514.578 6 ↓
Mid Mid (pH 6-8) 4.52 7.23 -13.66 1 8 0 85 514.578 6 ↓

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