Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| November 22nd, 2009 |
29 |
No
|
Popular Name:
(3R,8S,9S,10R,13S,14R,17R)-3,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,
(3R,8S,9S,10R,13S,14R,17R)-3,14-…
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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)
|
1.29 |
2.91 |
-13.13 |
3 |
6 |
0 |
99 |
401.503 |
2 |
↓
|
Rings
-
Cyclopentane
-
2H-furan-5-one
-
Cyclohexane
-
Cyclohexene
-
Methylenecyclohexane
-
2,3,6,7,8,9,10,11,12,13,14,15,16…
![2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene](//zinc12.docking.org/img/rings/94497.gif)
-
3-(2,3,6,7,8,9,10,11,12,13,14,15…
![3-(2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-furan-5-one](//zinc12.docking.org/img/rings/550005.gif)
No pre-computed analogs available. Try a structural similarity search.
![2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene](http://zinc12.docking.org/img/rings/94497.gif)
![3-(2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-furan-5-one](http://zinc12.docking.org/img/rings/550005.gif)