UCSF

ZINC13427473

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 34 No

Popular Name: (5R)-1-(2-dimethylaminoethyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl) (5R)-1-(2-dimethylaminoethyl)-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) 2.86 9.71 -57.52 1 8 0 93 468.55 10 ↓
Hi High (pH 8-9.5) 2.86 7.18 -45.32 0 8 -1 91 467.542 10 ↓
Lo Low (pH 4.5-6) 2.86 8.89 -48.94 2 8 1 90 469.558 10 ↓

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