UCSF

ZINC16729985

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 No

Popular Name: (5S)-4-(4-butoxybenzoyl)-5-(4-tert-butylphenyl)-1-(3-diethylaminopropyl)-3-hydroxy-5H-pyrrol-2-one (5S)-4-(4-butoxybenzoyl)-5-(4-te…

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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) 6.63 16.32 -75.47 1 6 0 74 520.714 14 ↓
Mid Mid (pH 6-8) 7.08 15.18 -57.97 2 6 1 71 521.722 13 ↓
Mid Mid (pH 6-8) 6.05 16.17 -60.98 1 6 1 68 521.722 14 ↓

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