Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| June 19th, 2008 |
38 |
No
|
Popular Name:
[(3S,8S,9R,10S,13S,14R,17S)-17-[(1S,4S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12
[(3S,8S,9R,10S,13S,14R,17S)-17-[…
Find On:
PubMed —
Wikipedia —
Google
Download:
MOL2
SDF
SMILES
Flexibase
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)
|
9.46 |
20.77 |
-4.78 |
0 |
2 |
0 |
26 |
518.826 |
9 |
↓
|
Rings
-
Cyclopentane
-
Benzene
-
Cyclohexane
-
Cyclohexene
-
Methylenecyclohexane
-
2,3,4,7,8,9,10,11,12,13,14,15,16…
![2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene](//zinc12.docking.org/img/rings/1648.gif)
-
Benzoic Acid 2,3,4,7,8,9,10,11,1…
![Benzoic Acid 2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl Ester](//zinc12.docking.org/img/rings/146083.gif)
No pre-computed analogs available. Try a structural similarity search.
![2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene](http://zinc12.docking.org/img/rings/1648.gif)
![Benzoic Acid 2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl Ester](http://zinc12.docking.org/img/rings/146083.gif)