UCSF

ZINC16729994

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 39 No

Popular Name: (5S)-4-(4-butoxybenzoyl)-5-(4-butoxyphenyl)-1-(3-diethylaminopropyl)-3-hydroxy-5H-pyrrol-2-one (5S)-4-(4-butoxybenzoyl)-5-(4-bu…

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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) 6.42 15.8 -75.26 1 7 0 83 536.713 17 ↓
Mid Mid (pH 6-8) 6.87 14.66 -59.23 2 7 1 81 537.721 16 ↓
Mid Mid (pH 6-8) 5.84 15.65 -62.57 1 7 1 77 537.721 17 ↓

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