UCSF

ZINC40100265

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 33 No

Popular Name: (2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(3-methoxybenzo (2S)-2-(3-bromo-4-hydroxy-5-meth…

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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) 1.97 1.97 -62.96 2 9 -1 129 521.34 10 ↓
Hi High (pH 8-9.5) 1.97 2.88 -118.2 1 9 -2 131 520.332 10 ↓
Lo Low (pH 4.5-6) 1.97 1.22 -19.45 3 9 0 126 522.348 10 ↓

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