UCSF

ZINC20230027

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methylbenzoyl)-5-(3-propoxyphenyl)-5H-pyrrol-2-one (5S)-1-(2-diethylaminoethyl)-3-h…

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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) 4.52 12.79 -69.37 1 6 0 74 450.579 11 ↓
Hi High (pH 8-9.5) 4.52 10.45 -58.38 0 6 -1 73 449.571 11 ↓
Lo Low (pH 4.5-6) 4.52 11.96 -49.58 2 6 1 71 451.587 11 ↓

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