UCSF

ZINC28890897

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 36 Yes

Popular Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-hydroxy-2-methyl-3-phenyl-chromen-4-one 8-[[4-(1,3-benzodioxol-5-ylmethy…

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Annotations

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Vendors

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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) 4.64 10.04 -56.06 2 7 1 77 485.56 5 ↓
Mid Mid (pH 6-8) 4.64 7.78 -14.21 1 7 0 75 484.552 5 ↓
Mid Mid (pH 6-8) 4.64 10.08 -53.63 2 7 1 77 485.56 5 ↓

Activity (Go SEA)

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