UCSF

ZINC41585039

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-hydroxy-2-(2-pyridylmethylene)benzof (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) 2.94 7.86 -49.87 2 8 1 89 472.521 5 ↓
Hi High (pH 8-9.5) 2.94 6.37 -49.4 0 8 -1 91 470.505 5 ↓
Mid Mid (pH 6-8) 2.94 7.88 -45.91 2 8 1 89 472.521 5 ↓
Mid Mid (pH 6-8) 2.94 8.64 -31.54 1 8 0 92 471.513 5 ↓
Mid Mid (pH 6-8) 2.94 5.61 -13.33 1 8 0 88 471.513 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.