Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| December 19th, 2008 |
34 |
No
|
Popular Name:
(6R,9S)-6,9-bis(4-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]qui
(6R,9S)-6,9-bis(4-methoxyphenyl)…
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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)
|
4.40 |
12.54 |
-18.9 |
1 |
7 |
0 |
78 |
470.451 |
5 |
↓
|
Rings
-
4H-1,2,4-triazole
-
1,4-dihydropyrimidine
-
Benzene
-
Cyclohex-2-en-1-one
-
5,6,7,9-tetrahydro-4H-[1,2,4]tri…
-
6,9-diphenyl-5,6,7,9-tetrahydro-…
No pre-computed analogs available. Try a structural similarity search.