UCSF

ZINC06753205

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 29 Yes

Popular Name: 8-(3-ethoxyphenyl)-7-(2-hydroxyethyl)-2-(2-hydroxy-5-methyl-phenyl)-3,4,7-triazabicyclo[3.3.0]octa-2 8-(3-ethoxyphenyl)-7-(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) 2.94 4.18 -14.2 3 7 0 99 393.443 6 ↓
Hi High (pH 8-9.5) 2.94 4.96 -52.39 2 7 -1 102 392.435 6 ↓

Activity (Go SEA)

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