UCSF

ZINC16267856

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2008 33 No

Popular Name: (5S)-1-(3-diethylaminopropyl)-4-(4-ethoxybenzoyl)-5-(2-fluorophenyl)-3-hydroxy-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) 3.98 11.18 -70.83 1 6 0 74 454.542 11 ↓
Mid Mid (pH 6-8) 4.43 10.26 -53.7 2 6 1 71 455.55 10 ↓
Mid Mid (pH 6-8) 3.40 11.03 -50.46 1 6 1 68 455.55 11 ↓

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