Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| May 27th, 2011 |
37 |
No
|
Popular Name:
2-[(Z)-[(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydroc
2-[(Z)-[(8R,9S,10R,13S,14S,17S)-…
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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)
|
4.81 |
10.77 |
-40.98 |
3 |
6 |
1 |
85 |
504.695 |
6 |
↓
|
Rings
-
2H-pyrrole
-
Cyclopentane
-
Cyclohexane
-
Cyclohex-2-en-1-ylideneamine
-
Methylenecyclohexane
-
(6-methylenecyclohexa-2,4-dien-1…
-
2H-indole
-
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-ylideneamine](//zinc12.docking.org/img/rings/4444.gif)
-
N-[2-(2H-indol-2-yl)ethyl]-2-(1,…
![N-[2-(2H-indol-2-yl)ethyl]-2-(1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylideneamino)oxy-acetamide](//zinc12.docking.org/img/rings/343299.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-ylideneamine](http://zinc12.docking.org/img/rings/4444.gif)
![N-[2-(2H-indol-2-yl)ethyl]-2-(1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylideneamino)oxy-acetamide](http://zinc12.docking.org/img/rings/343299.gif)