UCSF

ZINC41585296

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Substance Information

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

Popular Name: (2Z)-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-[(4-ethoxyphenyl)methylene]-6-hydroxy-benzofuran (2Z)-7-[[4-(3-chlorophenyl)piper…

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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) 5.61 10.29 -10.62 1 6 0 66 490.987 6 ↓
Mid Mid (pH 6-8) 5.61 10.88 -42.63 0 6 -1 69 489.979 6 ↓
Mid Mid (pH 6-8) 5.61 12.54 -53.33 2 6 1 67 491.995 6 ↓
Mid Mid (pH 6-8) 5.61 13.1 -33.28 1 6 0 70 490.987 6 ↓

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