UCSF

ZINC41585014

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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-2-[(2-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) 4.12 8.63 -52.05 2 8 1 86 501.559 6 ↓
Hi High (pH 8-9.5) 4.12 7.13 -47 0 8 -1 87 499.543 6 ↓
Mid Mid (pH 6-8) 4.12 8.63 -50.45 2 8 1 86 501.559 6 ↓
Mid Mid (pH 6-8) 4.12 9.4 -33.95 1 8 0 89 500.551 6 ↓
Mid Mid (pH 6-8) 4.12 6.38 -12.33 1 8 0 85 500.551 6 ↓

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