UCSF

ZINC41514111

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 No

Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-meth (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 2.46 3.99 -48.21 3 8 1 97 439.488 5 ↓
Hi High (pH 8-9.5) 2.46 2.3 -45.15 1 8 -1 98 437.472 5 ↓
Mid Mid (pH 6-8) 2.46 4.06 -44.19 3 8 1 97 439.488 5 ↓
Mid Mid (pH 6-8) 2.46 4.57 -33.27 2 8 0 100 438.48 5 ↓
Mid Mid (pH 6-8) 2.46 1.73 -11.23 2 8 0 96 438.48 5 ↓

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