UCSF

ZINC37857702

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 29 No

Popular Name: (2E)-2-[(2-fluorophenyl)methylene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzofuran- (2E)-2-[(2-fluorophenyl)methylen…

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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) 2.31 4.58 -40.77 3 6 1 78 399.442 5 ↓
Hi High (pH 8-9.5) 2.31 2.87 -43.58 1 6 -1 80 397.426 5 ↓
Mid Mid (pH 6-8) 2.31 2.3 -9.84 2 6 0 77 398.434 5 ↓
Mid Mid (pH 6-8) 2.31 5.15 -28.05 2 6 0 81 398.434 5 ↓

Activity (Go SEA)

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