UCSF

ZINC39761100

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 26 Yes

Popular Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone 2-[[5-(benzofuran-2-yl)-4-methyl…

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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) 2.19 7.91 -12.19 0 7 0 67 371.466 4 ↓
Mid Mid (pH 6-8) 2.19 10.28 -49.21 1 7 1 69 372.474 4 ↓

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