Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| March 14th, 2011 |
37 |
No
|
Popular Name:
4-[4-[(2S,8S,9R,10S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,1
4-[4-[(2S,8S,9R,10S,13S,14S,17R)…
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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)
|
7.39 |
16 |
-12.84 |
1 |
3 |
0 |
61 |
489.659 |
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)
-
2-(4-phenylphenyl)-1,2,6,7,8,9,1…
![2-(4-phenylphenyl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one](//zinc12.docking.org/img/rings/197702.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)
![2-(4-phenylphenyl)-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/197702.gif)