UCSF

ZINC05126243

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 29 No

Popular Name: 1-(3-diethylaminopropyl)-3-hydroxy-4-[(5-methyl-2-furyl)carbonyl]-5-(3-pyridyl)-5H-pyrrol-2-one 1-(3-diethylaminopropyl)-3-hydro…

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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) 1.67 8.49 -49.2 2 7 1 88 398.483 9 ↓
Lo Low (pH 4.5-6) 2.12 8.43 -110.96 3 7 2 89 399.491 8 ↓
Lo Low (pH 4.5-6) 1.09 9.46 -108.59 2 7 2 86 399.491 9 ↓

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