Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| February 4th, 2011 |
30 |
Yes
|
Popular Name:
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]py
1-[4-(1,1-dioxo-1,2-thiazolidin-…
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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)
|
0.87 |
4.99 |
-27.95 |
2 |
10 |
0 |
118 |
434.522 |
6 |
↓
|
Rings
-
1,2,4-triazol-3-one
-
2,3,4,5-tetrahydropyridine
-
Benzene
-
1,2-thiazolidine 1,1-dioxide
-
5,6,7,8-tetrahydro-2H-[1,2,4]tri…
![5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one](//zinc12.docking.org/img/rings/101275.gif)
-
1-[4-(1,1-diketo-1,2-thiazolidin…
![1-[4-(1,1-diketo-1,2-thiazolidin-2-yl)phenyl]-3-[3-(3-keto-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea](//zinc12.docking.org/img/rings/180608.gif)
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one](http://zinc12.docking.org/img/rings/101275.gif)
![1-[4-(1,1-diketo-1,2-thiazolidin-2-yl)phenyl]-3-[3-(3-keto-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea](http://zinc12.docking.org/img/rings/180608.gif)