Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| August 23rd, 2011 |
27 |
No
|
Popular Name:
(4aS,4bS,5aS,6aS,7R,9aS,9bS)-7-Hydroxy-7-(2-hydroxyacetyl)-4a,6a-Dimethyl-8-methylene-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one
(4aS,4bS,5aS,6aS,7R,9aS,9bS)-7-H…
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CAS Number:
981-34-0
Other Names:
(4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-Hydroxy-7-(2-hydroxyacetyl)-4a,6a,8-trimethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one
9beta,11beta-Epoxy-17alpha,21-dihydroxy-16beta-methylene-pregna-1,4-diene-3,20-dione
MFCD09038712
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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)
|
2.07 |
4.56 |
-14.99 |
2 |
5 |
0 |
87 |
370.445 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
2.07 |
5.31 |
-61.89 |
1 |
5 |
-1 |
90 |
369.437 |
2 |
↓
|
No pre-computed analogs available. Try a structural similarity search.
