UCSF

ZINC40053555

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 33 No

Popular Name: (2S)-3-(4-allyloxybenzoyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-hydroxypropyl)-2H-pyrrol-5-one (2S)-3-(4-allyloxybenzoyl)-2-(4-…

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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) 4.42 9.03 -60.75 1 6 -1 90 448.539 10 ↓
Lo Low (pH 4.5-6) 4.42 8.28 -13.54 2 6 0 87 449.547 10 ↓

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