Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| June 21st, 2011 |
38 |
No
|
Popular Name:
(2R,3S,4R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,
(2R,3S,4R,6R)-6-[[(3S,8S,9S,10R,…
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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)
|
6.61 |
8.87 |
-6.3 |
3 |
5 |
0 |
79 |
532.806 |
8 |
↓
|
Rings
-
Cyclopentane
-
Tetrahydropyran
-
Cyclohexane
-
Cyclohexene
-
Methylenecyclohexane
-
2,3,4,7,8,9,10,11,12,13,14,15,16…
![2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene](//zinc12.docking.org/img/rings/1648.gif)
-
2-(2,3,4,7,8,9,10,11,12,13,14,15…
![2-(2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy)tetrahydropyran](//zinc12.docking.org/img/rings/369856.gif)
No pre-computed analogs available. Try a structural similarity search.
![2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene](http://zinc12.docking.org/img/rings/1648.gif)
![2-(2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy)tetrahydropyran](http://zinc12.docking.org/img/rings/369856.gif)