Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| March 14th, 2011 |
32 |
No
|
Popular Name:
(3R,8S,9R,13R,14S)-13-methyl-3-phenyl-3-(trifluoromethylsulfonyl)-1,4,6,7,8,9,11,12,14,15,16,17-dode
(3R,8S,9R,13R,14S)-13-methyl-3-p…
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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)
|
8.28 |
11.26 |
-7.21 |
0 |
3 |
0 |
51 |
466.565 |
3 |
↓
|
Rings
-
Cyclopentane
-
Benzene
-
Cyclohexane
-
Cyclohexene
-
Cyclohex-3-en-1-one
-
1,3,4,6,7,8,9,11,12,13,14,15,16,…
-
3-phenyl-1,3,4,6,7,8,9,11,12,13,…
No pre-computed analogs available. Try a structural similarity search.