Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| March 24th, 2008 |
26 |
Yes
|
Popular Name:
[(4aR,8aS)-6-(cyclopropanecarbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-(4,5,6,7-tetr
[(4aR,8aS)-6-(cyclopropanecarbon…
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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)
|
2.78 |
-1.03 |
-13.15 |
0 |
4 |
0 |
41 |
372.534 |
2 |
↓
|
Rings
-
Cyclopropane
-
Thiophene
-
Piperidine
-
Cyclohexene
-
4,5,6,7-tetrahydrobenzothiophene
-
1,2,3,4,4a,5,6,7,8,8a-decahydro-…
-
Cyclopropyl-[1-(4,5,6,7-tetrahyd…
No pre-computed analogs available. Try a structural similarity search.