UCSF

ZINC37857548

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 35 No

Popular Name: (2E)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methyl-2-[(2,3,4-trimethoxyphenyl)meth (2E)-6-hydroxy-7-[[4-(2-hydroxye…

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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) 2.40 4.45 -44.76 3 9 1 106 485.557 8 ↓
Hi High (pH 8-9.5) 2.40 2.75 -46 1 9 -1 108 483.541 8 ↓
Mid Mid (pH 6-8) 2.40 2.18 -11.92 2 9 0 105 484.549 8 ↓
Mid Mid (pH 6-8) 2.40 5.03 -30.99 2 9 0 109 484.549 8 ↓

Activity (Go SEA)

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