Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 25th, 2011 |
36 |
No
|
Popular Name:
(5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(1R)-1,2-dihydroxy-2-methyl-propyl]-2-hydroxy-5-methyl-tet
(5R,9R,10R,13S,14S,17S)-17-[(2R,…
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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)
|
5.19 |
7.7 |
-7.29 |
3 |
5 |
0 |
87 |
502.736 |
3 |
↓
|
Rings
-
Tetrahydrofuran
-
Cyclopentane
-
Cyclohexene
-
Cyclohexanone
-
Methylenecyclohexane
-
1,2,4,5,6,9,10,11,12,13,14,15,16…
![1,2,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one](//zinc12.docking.org/img/rings/145348.gif)
-
17-tetrahydrofuran-3-yl-1,2,4,5,…
![17-tetrahydrofuran-3-yl-1,2,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one](//zinc12.docking.org/img/rings/349968.gif)
No pre-computed analogs available. Try a structural similarity search.
![1,2,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one](http://zinc12.docking.org/img/rings/145348.gif)
![17-tetrahydrofuran-3-yl-1,2,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one](http://zinc12.docking.org/img/rings/349968.gif)