UCSF

ZINC20057940

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 37 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-5-(4-ethoxyphenyl)-3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-5H-pyrrol (5S)-1-(2-diethylaminoethyl)-5-(…

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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) 5.15 13.92 -72.27 1 7 0 83 508.659 13 ↓
Hi High (pH 8-9.5) 5.15 11.71 -58.76 0 7 -1 82 507.651 13 ↓
Lo Low (pH 4.5-6) 5.15 13.11 -53.42 2 7 1 81 509.667 13 ↓

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