UCSF

ZINC40655981

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 30 Yes

Popular Name: (5E)-5-[(3aS,4R,5R,6aR)-4-[(E,3R)-3-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-hydroxy-prop-1-enyl]-5 (5E)-5-[(3aS,4R,5R,6aR)-4-[(E,3R…

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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) 2.83 8.47 -49.98 2 6 -1 99 413.49 7 ↓
Lo Low (pH 4.5-6) 2.83 6.49 -12.07 3 6 0 96 414.498 7 ↓

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