UCSF

ZINC20310445

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 36 No

Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(2-hydroxy-5-methyl-benzoyl)-1-(3-morpholinopropyl)-5H-pyrr (5S)-5-(3,4-dimethoxyphenyl)-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) 2.54 6.29 -57.79 1 9 -1 112 495.552 9 ↓
Hi High (pH 8-9.5) 2.54 7.13 -136.87 0 9 -2 114 494.544 9 ↓
Mid Mid (pH 6-8) 2.54 8.62 -77.92 2 9 0 113 496.56 9 ↓

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