UCSF

ZINC41584919

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-be (2Z)-7-[(4-benzylpiperazin-1-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) 4.61 10.22 -43.87 2 7 1 77 520.005 5 ↓
Hi High (pH 8-9.5) 4.61 8.74 -44.03 0 7 -1 78 517.989 5 ↓
Mid Mid (pH 6-8) 4.61 7.97 -10.07 1 7 0 75 518.997 5 ↓
Mid Mid (pH 6-8) 4.61 10.24 -45.16 2 7 1 77 520.005 5 ↓
Mid Mid (pH 6-8) 4.61 11.01 -28.06 1 7 0 79 518.997 5 ↓

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