UCSF

ZINC40091914

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 35 No

Popular Name: (2S)-3-(4-allyloxy-3-methyl-benzoyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(3-nitrophenyl)-2H-pyr (2S)-3-(4-allyloxy-3-methyl-benz…

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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) 2.65 7.16 -69.27 1 10 -1 145 481.481 12 ↓
Lo Low (pH 4.5-6) 2.65 6.41 -22.35 2 10 0 142 482.489 12 ↓

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