Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| March 22nd, 2008 |
26 |
Yes
|
Popular Name:
N-[[7-(2-methylbenzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]methyl]cycloprop
N-[[7-(2-methylbenzoyl)-5,6,8,9-…
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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)
|
0.45 |
-1.98 |
-15 |
1 |
7 |
0 |
80 |
353.426 |
4 |
↓
|
Rings
-
Cyclopropane
-
4H-1,2,4-triazole
-
Benzene
-
2,3,6,7-tetrahydro-1H-1,4-diazepine
-
6,7,8,9-tetrahydro-5H-[1,2,4]tri…
-
N-[(7-benzoyl-5,6,8,9-tetrahydro…
No pre-computed analogs available. Try a structural similarity search.