UCSF

ZINC09409044

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 34 Yes

Popular Name: 8-(4-butoxy-3-ethoxy-phenyl)-2-(2-hydroxyphenyl)-7-(2-methoxyethyl)-3,4,7-triazabicyclo[3.3.0]octa-2 8-(4-butoxy-3-ethoxy-phenyl)-2-(…

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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) 4.19 8.21 -18.32 2 8 0 97 465.55 11 ↓
Mid Mid (pH 6-8) 4.19 8.98 -58.49 1 8 -1 100 464.542 11 ↓

Activity (Go SEA)

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