UCSF

ZINC16729373

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 No

Popular Name: (5S)-1-(3-diethylaminopropyl)-3-hydroxy-4-(2-methyl-4-propoxy-benzoyl)-5-(p-tolyl)-5H-pyrrol-2-one (5S)-1-(3-diethylaminopropyl)-3-…

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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) 5.19 14.79 -74.66 1 6 0 74 478.633 12 ↓
Mid Mid (pH 6-8) 5.64 13.41 -59.64 2 6 1 71 479.641 11 ↓
Mid Mid (pH 6-8) 4.61 14.69 -55.88 1 6 1 68 479.641 12 ↓

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