UCSF

ZINC41585743

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Popular Name: (2Z)-2-benzylidene-6-hydroxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzofuran-3-one (2Z)-2-benzylidene-6-hydroxy-7-[…

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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) 4.58 8.57 -10.45 1 6 0 66 442.515 5 ↓
Mid Mid (pH 6-8) 4.58 11.55 -31.09 1 6 0 70 442.515 5 ↓
Mid Mid (pH 6-8) 4.58 10.79 -50.35 2 6 1 67 443.523 5 ↓
Mid Mid (pH 6-8) 4.58 9.34 -42.71 0 6 -1 69 441.507 5 ↓

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