UCSF

ZINC37857488

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 31 No

Popular Name: 2-(3,4-dimethoxybenzylidene)-6-hydroxy-4-methyl-7-[(4-methyl-1-piperazinyl)methyl]-1-benzofuran-3(2H)-one 2-(3,4-dimethoxybenzylidene)-6-h…

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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) 2.85 7 -46.56 2 7 1 77 425.505 5 ↓
Hi High (pH 8-9.5) 2.85 5.21 -43.96 0 7 -1 78 423.489 5 ↓
Mid Mid (pH 6-8) 2.85 6.91 -44.79 2 7 1 77 425.505 5 ↓
Mid Mid (pH 6-8) 2.85 4.64 -11.01 1 7 0 75 424.497 5 ↓

Activity (Go SEA)

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