UCSF

ZINC13161872

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 2nd, 2008 31 No

Popular Name: 1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-(4-propoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one 1-[2-(dimethylamino)ethyl]-3-hyd…

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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 7.6 -76.03 2 7 0 94 424.497 9 ↓
Hi High (pH 8-9.5) 2.86 5.06 -63.67 1 7 -1 93 423.489 9 ↓
Lo Low (pH 4.5-6) 2.86 6.78 -53.71 3 7 1 92 425.505 9 ↓

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