Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| June 21st, 2011 |
28 |
Yes
|
Popular Name:
8-[(7aR)-1,2,3,5,7,7a-hexahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-qui
8-[(7aR)-1,2,3,5,7,7a-hexahydrop…
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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)
|
2.30 |
9.95 |
-70.36 |
1 |
6 |
-1 |
77 |
382.415 |
3 |
↓
|
Rings
-
Cyclopropane
-
1,2,3,6-tetrahydropyridine
-
3-methylenepyrrolidine
-
Pyridine
-
2-pyridone
-
2,3,5,6,7,7a-hexahydro-1H-pyrrol…
-
Quinolizin-4-one
-
8-(1,2,3,5,7,7a-hexahydropyrrolo…
No pre-computed analogs available. Try a structural similarity search.