UCSF

ZINC13692863

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

Popular Name: (5S)-4-(2,4-dimethoxybenzoyl)-1-(3-dimethylaminopropyl)-5-(3-fluorophenyl)-3-hydroxy-5H-pyrrol-2-one (5S)-4-(2,4-dimethoxybenzoyl)-1-…

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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) 2.86 10.65 -87.25 1 7 0 83 442.487 9 ↓
Mid Mid (pH 6-8) 3.31 9.27 -66.03 2 7 1 81 443.495 8 ↓
Mid Mid (pH 6-8) 2.28 10.48 -68.5 1 7 1 77 443.495 9 ↓

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