Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| August 19th, 2011 |
37 |
No
|
Popular Name:
(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5R,9S,10R,13R,14S,17R)-2,3,14-trihydroxy-10,13-dimethy
(3S,4S,5R)-4-[(2R,3R)-2,3-dihydr…
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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)
|
0.71 |
2.26 |
-16.99 |
5 |
8 |
0 |
145 |
520.663 |
4 |
↓
|
Rings
-
Cyclopentane
-
Tetrahydrofuran-2-one
-
Cyclohexane
-
Cyclohex-2-en-1-one
-
Methylenecyclohexane
-
1,2,3,4,5,9,10,11,12,13,14,15,16…
![1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one](//zinc12.docking.org/img/rings/349952.gif)
-
4-[3-(6-keto-1,2,3,4,5,9,10,11,1…
![4-[3-(6-keto-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)propyl]tetrahydrofuran-2-one](//zinc12.docking.org/img/rings/479745.gif)
No pre-computed analogs available. Try a structural similarity search.
![1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one](http://zinc12.docking.org/img/rings/349952.gif)
![4-[3-(6-keto-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)propyl]tetrahydrofuran-2-one](http://zinc12.docking.org/img/rings/479745.gif)