UCSF

ZINC39848250

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 35 No

Popular Name: (2S)-2-(4-allyloxyphenyl)-4-hydroxy-3-(2-methoxybenzoyl)-1-(2-morpholinoethyl)-2H-pyrrol-5-one (2S)-2-(4-allyloxyphenyl)-4-hydr…

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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) 2.96 7.88 -67.16 0 8 -1 91 477.537 10 ↓
Mid Mid (pH 6-8) 2.96 10.15 -74.12 1 8 0 93 478.545 10 ↓
Lo Low (pH 4.5-6) 2.96 9.42 -52.46 2 8 1 90 479.553 10 ↓

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