Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| June 25th, 2008 |
26 |
No
|
Popular Name:
9-[(1S,3S,5S,8R,10R)-3,5-dihydroxy-3,5-dioxo-2,4,6,9-tetraoxa-3$l^{5},5$l^{5}-diphosphabicyclo[6.3.0
9-[(1S,3S,5S,8R,10R)-3,5-dihydro…
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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)
|
-1.43 |
3.73 |
-107.74 |
1 |
13 |
-2 |
173 |
405.2 |
2 |
↓
|
Rings
-
Glyoxaline
-
Tetrahydrofuran
-
Pyrimidine
-
2,4,8-trioxa-1$l^{5},3$l^{5}-dip…
-
9H-purine
-
3,5,7,11-tetraoxa-4$l^{5},6$l^{5…
![3,5,7,11-tetraoxa-4$l^{5},6$l^{5}-diphosphabicyclo[6.3.0]undecane 4,6-dioxide](//zinc12.docking.org/img/rings/228155.gif)
-
10-purin-9-yl-3,5,7,11-tetraoxa-…
![10-purin-9-yl-3,5,7,11-tetraoxa-4$l^{5},6$l^{5}-diphosphabicyclo[6.3.0]undecane 4,6-dioxide](//zinc12.docking.org/img/rings/228154.gif)
No pre-computed analogs available. Try a structural similarity search.
![3,5,7,11-tetraoxa-4$l^{5},6$l^{5}-diphosphabicyclo[6.3.0]undecane 4,6-dioxide](http://zinc12.docking.org/img/rings/228155.gif)
![10-purin-9-yl-3,5,7,11-tetraoxa-4$l^{5},6$l^{5}-diphosphabicyclo[6.3.0]undecane 4,6-dioxide](http://zinc12.docking.org/img/rings/228154.gif)