UCSF

ZINC20149675

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 29 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-phenyl-5H-pyrrol-2-one (5S)-1-(2-diethylaminoethyl)-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) 2.27 10.18 -69.33 1 6 0 78 413.543 8 ↓
Hi High (pH 8-9.5) 2.27 7.97 -57.88 0 6 -1 77 412.535 8 ↓
Lo Low (pH 4.5-6) 2.27 9.36 -48.79 2 6 1 75 414.551 8 ↓

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