UCSF

ZINC40054069

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 32 No

Popular Name: (2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-(3-ethoxybenzoyl)-4-hydroxy-1-(3-hydroxypropyl)-2H-pyr (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) 2.73 3.47 -67.43 2 8 -1 119 505.341 9 ↓
Hi High (pH 8-9.5) 2.73 4.39 -126.43 1 8 -2 122 504.333 9 ↓
Lo Low (pH 4.5-6) 2.73 2.72 -23.18 3 8 0 117 506.349 9 ↓

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