Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| November 22nd, 2009 |
32 |
No
|
Popular Name:
1-[(5S,8S,9R,10S,13R,14S,17S)-17-[(1S)-1,5-dimethylhexyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,
1-[(5S,8S,9R,10S,13R,14S,17S)-17…
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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)
|
4.81 |
17.58 |
-27.73 |
0 |
1 |
1 |
3 |
440.78 |
5 |
↓
|
Rings
-
Cyclopentane
-
1-methylenepyrrolidin-1-ium
-
Cyclohexane
-
Cyclohexylideneamine
-
1,2,4,5,6,7,8,9,10,11,12,13,14,1…
![1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ylideneamine](//zinc12.docking.org/img/rings/52169.gif)
-
1-(1,2,4,5,6,7,8,9,10,11,12,13,1…
![1-(1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ylidene)pyrrolidin-1-ium](//zinc12.docking.org/img/rings/552634.gif)
No pre-computed analogs available. Try a structural similarity search.
![1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ylideneamine](http://zinc12.docking.org/img/rings/52169.gif)
![1-(1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ylidene)pyrrolidin-1-ium](http://zinc12.docking.org/img/rings/552634.gif)