UCSF

ZINC20065180

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 33 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-5-(2-methoxyphenyl)-5H-pyrrol- (5S)-1-(2-diethylaminoethyl)-3-h…

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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 11.29 -69.69 1 7 0 83 452.551 10 ↓
Hi High (pH 8-9.5) 3.60 9.03 -61 0 7 -1 82 451.543 10 ↓
Lo Low (pH 4.5-6) 3.60 10.32 -44.61 2 7 1 81 453.559 10 ↓

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