UCSF

ZINC40077661

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 31 No

Popular Name: (2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-(4-ethoxybenzoyl)-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrr (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) 2.48 3.22 -59.8 2 8 -1 119 491.314 8 ↓
Hi High (pH 8-9.5) 2.48 4.14 -116.1 1 8 -2 122 490.306 8 ↓
Lo Low (pH 4.5-6) 2.48 2.47 -16.27 3 8 0 117 492.322 8 ↓

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