UCSF

ZINC18190418

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 34 No

Popular Name: methyl 4-{[1-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate methyl 4-{[1-[2-(dimethylamino)e…

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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) 2.35 9.51 -72.11 2 9 0 116 469.538 10 ↓
Hi High (pH 8-9.5) 2.35 7.06 -55.17 1 9 -1 115 468.53 10 ↓
Lo Low (pH 4.5-6) 2.44 9.1 -64.78 2 9 1 110 470.546 10 ↓

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