UCSF

ZINC41585860

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

Popular Name: (2E)-6-hydroxy-4-methyl-2-[(4-phenylphenyl)methylene]-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofu (2E)-6-hydroxy-4-methyl-2-[(4-ph…

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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) 5.79 13 -37.43 2 6 1 71 504.61 5 ↓
Hi High (pH 8-9.5) 5.79 13.43 -46.27 0 6 -1 73 502.594 5 ↓
Mid Mid (pH 6-8) 5.79 13.77 -54.85 1 6 0 74 503.602 5 ↓
Mid Mid (pH 6-8) 5.79 12.66 -11.89 1 6 0 70 503.602 5 ↓
Mid Mid (pH 6-8) 5.79 14.87 -48.8 2 6 1 71 504.61 5 ↓
Lo Low (pH 4.5-6) 5.79 15.23 -106.79 3 6 2 72 505.618 5 ↓

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