UCSF

ZINC16729645

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 No

Popular Name: (5S)-1-(3-diethylaminopropyl)-4-(4-ethoxy-3-methyl-benzoyl)-3-hydroxy-5-(p-tolyl)-5H-pyrrol-2-one (5S)-1-(3-diethylaminopropyl)-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) 4.69 13.47 -77.44 1 6 0 74 464.606 11 ↓
Mid Mid (pH 6-8) 5.13 12.37 -58.5 2 6 1 71 465.614 10 ↓
Mid Mid (pH 6-8) 4.11 13.34 -61.82 1 6 1 68 465.614 11 ↓

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