UCSF

ZINC26146713

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 31 Yes

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

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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) 3.11 7.96 -54.42 2 6 -1 99 427.517 8 ↓
Lo Low (pH 4.5-6) 3.11 6.84 -16.66 3 6 0 96 428.525 8 ↓

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