UCSF

ZINC16731725

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 No

Popular Name: (5S)-1-(3-diethylaminopropyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-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) 3.36 9.18 -81.25 2 7 0 94 452.551 11 ↓
Mid Mid (pH 6-8) 3.81 8.06 -59.16 3 7 1 92 453.559 10 ↓
Mid Mid (pH 6-8) 2.78 9.03 -61.68 2 7 1 88 453.559 11 ↓

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