UCSF

ZINC39827861

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2010 37 No

Popular Name: (2S)-3-(4-allyloxybenzoyl)-2-(3-ethoxy-4-hydroxy-phenyl)-4-hydroxy-1-(2-morpholinoethyl)-2H-pyrrol-5 (2S)-3-(4-allyloxybenzoyl)-2-(3-…

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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) 2.67 5.76 -59.77 1 9 -1 112 507.563 11 ↓
Mid Mid (pH 6-8) 2.67 8.03 -76.69 2 9 0 113 508.571 11 ↓
Lo Low (pH 4.5-6) 2.67 7.28 -59.96 3 9 1 110 509.579 11 ↓

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