UCSF

ZINC26144529

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 32 Yes

Popular Name: (5E)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3R)-3-hydroxy-3-[(2S)-6-methoxy-2,3-dihydro-1,4-benzodioxin- (5E)-5-[(3aS,4R,5R,6aR)-5-hydrox…

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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) 2.87 6.49 -54.91 2 7 -1 108 443.516 8 ↓
Lo Low (pH 4.5-6) 2.87 5.37 -17.91 3 7 0 105 444.524 8 ↓

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

No pre-computed analogs available. Try a structural similarity search.