UCSF

ZINC20461151

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 36 No

Popular Name: (5R)-1-(2-diethylaminoethyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-5H-pyrrol-2-o (5R)-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) 3.60 11.23 -73.01 1 8 0 93 496.604 12 ↓
Hi High (pH 8-9.5) 3.60 8.91 -57.93 0 8 -1 91 495.596 12 ↓
Lo Low (pH 4.5-6) 3.60 10.41 -55.15 2 8 1 90 497.612 12 ↓

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