Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| September 18th, 2011 |
28 |
Yes
|
Popular Name:
(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyri
(2R)-3-(3,5-dimethyl-1,2,4-triaz…
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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)
|
1.51 |
9.2 |
-24.73 |
1 |
7 |
0 |
80 |
382.443 |
4 |
↓
|
Rings
-
1H-1,2,4-triazole
-
4H-1,2,4-triazole
-
1H-pyrazole
-
1,2,3,6-tetrahydropyridine
-
Benzene
-
4,5,6,7-tetrahydro-1H-pyrazolo[4…
-
1-(3-phenyl-1,4,6,7-tetrahydropy…
No pre-computed analogs available. Try a structural similarity search.