UCSF

ZINC39827739

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2010 37 No

Popular Name: (2S)-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-(3-morpholinopropyl)-3-(4-propoxybenzoyl)-2H-pyrrol- (2S)-4-hydroxy-2-(4-hydroxy-3-me…

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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) 2.80 5.48 -59.35 1 9 -1 112 509.579 11 ↓
Mid Mid (pH 6-8) 2.80 7.76 -70.87 2 9 0 113 510.587 11 ↓
Lo Low (pH 4.5-6) 2.80 7 -48.82 3 9 1 110 511.595 11 ↓

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