UCSF

ZINC20057165

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 33 No

Popular Name: 1-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one 1-[2-(dimethylamino)ethyl]-5-(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) 3.64 11 -72.26 1 7 0 83 452.551 10 ↓
Hi High (pH 8-9.5) 3.64 8.46 -57.76 0 7 -1 82 451.543 10 ↓
Lo Low (pH 4.5-6) 3.64 10.18 -52.58 2 7 1 81 453.559 10 ↓

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