Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| July 17th, 2011 |
24 |
Yes
|
Popular Name:
1-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-3-(4,5,6,7-tetrahydro-2H-indazol-3-
1-(2-methyl-4,6,7,8-tetrahydropy…
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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)
|
1.98 |
7.53 |
-14.57 |
1 |
6 |
0 |
67 |
327.432 |
3 |
↓
|
Rings
-
1H-pyrazole
-
Cyclohexene
-
2,5,6,7-tetrahydro-1H-1,4-diazepine
-
4,5,6,7-tetrahydro-2H-indazole
-
5,6,7,8-tetrahydro-4H-pyrazolo[1…
![5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine](//zinc12.docking.org/img/rings/368088.gif)
-
3-(4,5,6,7-tetrahydro-2H-indazol…
![3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)-1-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one](//zinc12.docking.org/img/rings/397676.gif)
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine](http://zinc12.docking.org/img/rings/368088.gif)
![3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)-1-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one](http://zinc12.docking.org/img/rings/397676.gif)