Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| July 26th, 2011 |
30 |
No
|
Popular Name:
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenan
[(8R,9S,10R,13S,14S,17S)-10,13-d…
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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)
|
5.73 |
15.24 |
-12.26 |
0 |
3 |
0 |
43 |
410.598 |
5 |
↓
|
Rings
-
Cyclopentane
-
Cyclohexane
-
Cyclohexa-2,5-dien-1-one
-
Methylenecyclohexane
-
6,7,8,9,10,11,12,13,14,15,16,17-…
-
3-cyclopentylpropionic Acid (3-k…
No pre-computed analogs available. Try a structural similarity search.