UCSF

ZINC40054525

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 35 No

Popular Name: (2S)-3-(3-allyloxybenzoyl)-4-hydroxy-1-(3-hydroxypropyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one (2S)-3-(3-allyloxybenzoyl)-4-hyd…

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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) 2.33 5.77 -65.15 1 9 -1 118 482.509 12 ↓
Lo Low (pH 4.5-6) 2.33 5.01 -21.64 2 9 0 115 483.517 12 ↓

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