UCSF

ZINC13427468

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 32 No

Popular Name: (5R)-1-(2-dimethylaminoethyl)-5-(4-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-5H-pyrrol- (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) 3.27 10.73 -71.37 1 7 0 83 438.524 9 ↓
Hi High (pH 8-9.5) 3.27 8.19 -57.19 0 7 -1 82 437.516 9 ↓
Lo Low (pH 4.5-6) 3.27 9.76 -50.17 2 7 1 81 439.532 9 ↓

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