Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| January 10th, 2011 |
21 |
No
|
Other Names:
10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17- hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol; ANDROSTAN-3-ALPHA17-BETA-DIOL; androstan-3alpha,17beta-diol
Androstan-3alpha,17beta-diol; C03852
Download:
MOL2
SDF
SMILES
Flexibase
Annotations
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- ANDROSTAN-3-ALPHA17-BETA-DIOL
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Vendors
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
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H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
3.61 |
4.8 |
-3.11 |
2 |
2 |
0 |
40 |
292.463 |
0 |
↓
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Rings
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Cyclopentane
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Cyclohexane
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2,3,4,5,6,7,8,9,10,11,12,13,14,1…
![2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene](//zinc12.docking.org/img/rings/1358.gif)
No pre-computed analogs available. Try a structural similarity search.
![2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene](http://zinc12.docking.org/img/rings/1358.gif)