UCSF

ZINC08606643

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 33 Yes

Popular Name: 8-(3-ethoxy-4-hydroxy-phenyl)-2-(2-hydroxyphenyl)-7-(3-pyridylmethyl)-3,4,7-triazabicyclo[3.3.0]octa 8-(3-ethoxy-4-hydroxy-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) 2.62 5.14 -16.32 3 8 0 112 442.475 6 ↓
Mid Mid (pH 6-8) 2.62 5.9 -54.49 2 8 -1 114 441.467 6 ↓
Lo Low (pH 4.5-6) 2.42 5.02 -45.11 3 8 1 109 443.483 6 ↓

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