UCSF

ZINC62977217

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 36 No

Popular Name: (2E)-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-7-[(4-phenylpiperazin-1-yl)methyl]benzofuran-3- (2E)-2-[[4-(diethylamino)phenyl]…

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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) 5.37 11.8 -44.9 2 6 0 61 484.62 7 ↓
Hi High (pH 8-9.5) 5.37 11.68 -10.37 1 6 0 60 483.612 7 ↓
Hi High (pH 8-9.5) 5.37 12.27 -44.66 0 6 -1 63 482.604 7 ↓
Mid Mid (pH 6-8) 5.37 12.41 -60.34 1 6 0 64 483.612 7 ↓
Mid Mid (pH 6-8) 5.37 14.06 -79.57 3 6 0 63 485.628 7 ↓
Mid Mid (pH 6-8) 5.37 14.6 -61.43 2 6 0 65 484.62 7 ↓

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