Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| March 14th, 2011 |
31 |
No
|
Popular Name:
(8S,9R,10S,11R,13S,14S,17R)-11-(4-ethylphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11
(8S,9R,10S,11R,13S,14S,17R)-11-(…
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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)
|
6.75 |
13 |
-8.53 |
1 |
2 |
0 |
37 |
416.605 |
2 |
↓
|
Rings
-
Cyclopentane
-
Benzene
-
Cyclohexane
-
Cyclohex-2-en-1-one
-
Methylenecyclohexane
-
1,2,6,7,8,9,10,11,12,13,14,15,16…
![1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one](//zinc12.docking.org/img/rings/152.gif)
-
11-phenyl-1,2,6,7,8,9,10,11,12,1…
![11-phenyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one](//zinc12.docking.org/img/rings/197688.gif)
No pre-computed analogs available. Try a structural similarity search.
![1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one](http://zinc12.docking.org/img/rings/152.gif)
![11-phenyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one](http://zinc12.docking.org/img/rings/197688.gif)