Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| August 18th, 2011 |
32 |
No
|
Popular Name:
(3R)-3-[(1,4-dioxo-3-propyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-3-propyl-5,6,7,8-tetrahydronaphth
(3R)-3-[(1,4-dioxo-3-propyl-5,6,…
Find On:
PubMed —
Wikipedia —
Google
Download:
MOL2
SDF
SMILES
Flexibase
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)
|
3.56 |
15.41 |
-9.81 |
0 |
6 |
0 |
95 |
438.52 |
6 |
↓
|
Rings
-
Cyclohexene
-
P-benzoquinone
-
Cyclohex-5-ene-1,2,4-trione
-
5,6,7,8-tetrahydronaphthalene-1,…
-
5,6,7,8-tetrahydronaphthalene-1,…
-
3-[(1,4-diketo-5,6,7,8-tetrahydr…
No pre-computed analogs available. Try a structural similarity search.