Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| February 11th, 2010 |
30 |
Yes
|
Popular Name:
2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-(1,3-benzothiazo
2-[(6aS)-6,12-dioxo-7,8,9,10-tet…
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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)
|
2.62 |
7.57 |
-18.03 |
1 |
7 |
0 |
83 |
420.494 |
3 |
↓
|
Rings
-
Thiazole
-
Piperidine
-
Benzene
-
2,4-dihydro-1H-1,4-diazepine-3,7…
-
1,3-benzothiazole
-
5,6a,7,8,9,10-hexahydropyrido[2,…
![5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepine-6,12-quinone](//zinc12.docking.org/img/rings/603463.gif)
-
N-(1,3-benzothiazol-6-yl)-2-(6,1…
![N-(1,3-benzothiazol-6-yl)-2-(6,12-diketo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide](//zinc12.docking.org/img/rings/603476.gif)
No pre-computed analogs available. Try a structural similarity search.
![5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepine-6,12-quinone](http://zinc12.docking.org/img/rings/603463.gif)
![N-(1,3-benzothiazol-6-yl)-2-(6,12-diketo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide](http://zinc12.docking.org/img/rings/603476.gif)