UCSF

ZINC39897974

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 Yes

Popular Name: (4S,6aS)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-(5-chloro-2-hydroxy-phenyl)-5-(2-hydroxyethyl)-4,6 (4S,6aS)-4-(3-bromo-4-hydroxy-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) 3.07 1.48 -14.19 4 8 0 119 494.729 5 ↓
Hi High (pH 8-9.5) 2.87 0.63 -50.85 2 8 -1 118 493.721 5 ↓
Mid Mid (pH 6-8) 3.07 1.85 -18.02 4 8 0 119 494.729 5 ↓

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