UCSF

ZINC09409052

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 35 Yes

Popular Name: 8-(4-hexoxy-3-methoxy-phenyl)-2-(2-hydroxyphenyl)-7-(2-methoxyethyl)-3,4,7-triazabicyclo[3.3.0]octa- 8-(4-hexoxy-3-methoxy-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) 4.82 8.85 -18.38 2 8 0 97 479.577 12 ↓
Mid Mid (pH 6-8) 4.82 9.62 -58.29 1 8 -1 100 478.569 12 ↓

Activity (Go SEA)

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