Substance Information
In ZINC since |
Heavy atoms |
Benign functionality |
February 4th, 2006 |
20 |
No
|
Other Names:
17-hydroxy-13-methyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one
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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)
|
3.00 |
6.74 |
-7.28 |
1 |
2 |
0 |
37 |
274.404 |
0 |
↓
|
Vendor Notes
Note Type |
Comments |
Provided By |
MP |
124 |
TCI |
PUBCHEM_PATENT_ID |
WO1995002424A1 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.