Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| January 24th, 2011 |
37 |
No
|
Popular Name:
17-(1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexenyl)-2,16-dihydroxy-4,4,9,14-tetramethylestra-1,5-diene-3,11-dione; nsc521777
17-(1,5-dihydroxy-1,5-dimethyl-2…
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SMILES
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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)
|
2.69 |
7.93 |
-12.42 |
4 |
7 |
0 |
132 |
514.659 |
4 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| PUBCHEM_SUBSTANCE_COMMENT |
pending |
PDSP via PubChem |
No pre-computed analogs available. Try a structural similarity search.
