UCSF

ZINC26144543

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 30 Yes

Popular Name: (5E)-5-[(3aS,4R,5R,6aR)-4-[(E,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-prop-1-enyl]-5-hydr (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) 2.66 7.01 -55.17 2 6 -1 99 413.49 7 ↓
Lo Low (pH 4.5-6) 2.66 5.89 -17.63 3 6 0 96 414.498 7 ↓

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

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