Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| November 22nd, 2009 |
36 |
No
|
Popular Name:
(2R,4R)-1-[4-[[(8S,9R,10S,13R,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydr
(2R,4R)-1-[4-[[(8S,9R,10S,13R,14…
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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)
|
0.59 |
10.95 |
-64.21 |
1 |
8 |
-1 |
124 |
500.612 |
6 |
↓
|
Rings
-
Pyrrolidine
-
Cyclopentane
-
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)
-
4-keto-4-pyrrolidino-butyric Aci…
![4-keto-4-pyrrolidino-butyric Acid (3-keto-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) Ester](//zinc12.docking.org/img/rings/550103.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)
![4-keto-4-pyrrolidino-butyric Acid (3-keto-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) Ester](http://zinc12.docking.org/img/rings/550103.gif)