Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 12th, 2004 |
38 |
No
|
Popular Name:
4-[(3aS,10R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-diketo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-ca
4-[(3aS,10R)-2-(2,3-dihydro-1,4-…
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SMILES
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Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
4.39 |
0.31 |
-15.89 |
1 |
9 |
0 |
101 |
509.518 |
4 |
↓
|
Rings
-
Pyrrole
-
2,3-dihydro-1,4-dioxine
-
1,2,3,6-tetrahydropyridine
-
Benzene
-
Hydantoin
-
2,3-dihydro-1,4-benzodioxine
-
3a,4,9,10-tetrahydroimidazo[1,5-…
![3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carboline-1,3-quinone](//zinc12.docking.org/img/rings/231241.gif)
-
2-(2,3-dihydro-1,4-benzodioxin-6…
![2-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-phenyl-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carboline-1,3-quinone](//zinc12.docking.org/img/rings/232312.gif)
No pre-computed analogs available. Try a structural similarity search.
![3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carboline-1,3-quinone](http://zinc12.docking.org/img/rings/231241.gif)
![2-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-phenyl-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carboline-1,3-quinone](http://zinc12.docking.org/img/rings/232312.gif)