UCSF

ZINC20440158

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 33 No

Popular Name: 1-[2-(diethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-(4-isopropoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one 1-[2-(diethylamino)ethyl]-3-hydr…

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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) 3.48 8.63 -70.66 2 7 0 94 452.551 10 ↓
Hi High (pH 8-9.5) 3.48 6.34 -64.4 1 7 -1 93 451.543 10 ↓
Lo Low (pH 4.5-6) 3.48 7.81 -49.4 3 7 1 92 453.559 10 ↓

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