UCSF

ZINC40047267

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 30 No

Popular Name: (2R)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-1-(3-hydroxypropyl)-3-(4-methylbenzoyl)-2H-pyr (2R)-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) 2.77 4.48 -60.06 2 7 -1 110 475.315 7 ↓
Hi High (pH 8-9.5) 2.77 5.4 -117.9 1 7 -2 113 474.307 7 ↓
Lo Low (pH 4.5-6) 2.77 3.73 -16.41 3 7 0 107 476.323 7 ↓

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