UCSF

ZINC40118229

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 35 No

Popular Name: (2S)-3-(4-butoxybenzoyl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-hydroxy-1,2-dihydropyrrol-5-one (2S)-3-(4-butoxybenzoyl)-2-(3,5-…

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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) 6.68 9.52 -56.25 2 6 -1 99 478.609 9 ↓
Lo Low (pH 4.5-6) 6.68 8.76 -11.77 3 6 0 96 479.617 9 ↓

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