UCSF

ZINC40663261

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 30 No

Popular Name: (Z)-7-[(1R,4S,5R,6R)-6-[(E,3R,4S)-3-hydroxy-4-(4-hydroxy-3-iodo-phenyl)pent-1-enyl]-7-oxabicyclo[2.2 (Z)-7-[(1R,4S,5R,6R)-6-[(E,3R,4S…

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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) 5.38 9.57 -49.04 2 5 -1 90 525.403 10 ↓
Lo Low (pH 4.5-6) 5.38 7.59 -11.75 3 5 0 87 526.411 10 ↓

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

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