Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| July 19th, 2011 |
21 |
No
|
Popular Name:
(8R)-2-amino-8-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-
(8R)-2-amino-8-(4,5,6,7-tetrahyd…
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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)
|
1.43 |
3.24 |
-11.59 |
3 |
5 |
0 |
81 |
320.443 |
1 |
↓
|
Rings
-
Thiazole
-
Cyclohexene
-
1,2,5,6-tetrahydroazepin-7-one
-
4,5,6,7-tetrahydro-1,3-benzothia…
-
4,5,7,8-tetrahydrothiazolo[4,5-c…
-
8-(4,5,6,7-tetrahydro-1,3-benzot…
No pre-computed analogs available. Try a structural similarity search.