Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| July 17th, 2011 |
26 |
Yes
|
Popular Name:
2,3-dimethyl-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one
2,3-dimethyl-7-[(3-phenyl-1,2,4-…
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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)
|
1.76 |
6.31 |
-15.06 |
0 |
7 |
0 |
77 |
351.41 |
3 |
↓
|
Rings
-
1,2,4-oxadiazole
-
Benzene
-
4(1H)-pyrimidone
-
2,3,6,7-tetrahydro-1H-azepine
-
3,5,6,7,8,9-hexahydropyrimido[4,…
-
7-[(3-phenyl-1,2,4-oxadiazol-5-y…
No pre-computed analogs available. Try a structural similarity search.