Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| July 26th, 2011 |
33 |
No
|
Popular Name:
[2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclope
[2-[(8S,9S,10R,11S,13S,14S)-11-h…
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)
|
4.13 |
13 |
-14.44 |
1 |
5 |
0 |
81 |
448.559 |
5 |
↓
|
Rings
-
Cyclopentene
-
Benzene
-
Cyclohexane
-
Cyclohex-2-en-1-one
-
Methylenecyclohexane
-
1,2,6,7,8,9,10,11,12,13,14,15-do…
![1,2,6,7,8,9,10,11,12,13,14,15-dodecahydrocyclopenta[a]phenanthren-3-one](//zinc12.docking.org/img/rings/14365.gif)
-
Benzoic Acid [2-keto-2-(3-keto-1…
![Benzoic Acid [2-keto-2-(3-keto-1,2,6,7,8,9,10,11,12,13,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl)ethyl] Ester](//zinc12.docking.org/img/rings/446849.gif)
No pre-computed analogs available. Try a structural similarity search.
![1,2,6,7,8,9,10,11,12,13,14,15-dodecahydrocyclopenta[a]phenanthren-3-one](http://zinc12.docking.org/img/rings/14365.gif)
![Benzoic Acid [2-keto-2-(3-keto-1,2,6,7,8,9,10,11,12,13,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl)ethyl] Ester](http://zinc12.docking.org/img/rings/446849.gif)