Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| July 26th, 2011 |
29 |
Yes
|
Popular Name:
4,5-Heptadienoic acid, 7-(3-hydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-, methyl ester; 4,5-Heptadienoic acid, 7-(3-hydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-, methyl ester, (1alpha,2beta(1E,3R*),3alpha)-; 4,5-Heptadienoi
4,5-Heptadienoic acid, 7-(3-hydr…
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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)
|
1.84 |
7.07 |
-16.37 |
2 |
6 |
0 |
93 |
400.471 |
11 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| PUBCHEM_PATENT_ID |
EP1005336A1 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
