Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| January 21st, 2006 |
24 |
No
|
Popular Name:
1,4-Phenanthrenedione, 4b,5,6,7,8,8a,9,10-octahydro-3,10-dihydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS-(4balpha,8abeta,10beta))-; 4b,5,6,7,8,8a,9,10-Octahydro-3,10-dihydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-1,4-phenanthrenedione; 7alpha-12-Hydroxy
1,4-Phenanthrenedione, 4b,5,6,7,…
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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)
|
3.44 |
7.45 |
-41.15 |
1 |
4 |
-1 |
77 |
331.432 |
1 |
↓
|
|
Lo
Low (pH 4.5-6)
|
3.44 |
6.62 |
-3.33 |
2 |
4 |
0 |
75 |
332.44 |
1 |
↓
|
Vendor Notes
No pre-computed analogs available. Try a structural similarity search.
