Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 26th, 2009 |
20 |
Yes
|
Popular Name:
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,3-dihydro-1,4-benzodioxin-8-yl)m
[(3aS,6aS)-3,3a,4,5,6,6a-hexahyd…
Find On:
PubMed —
Wikipedia —
Google
Download:
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)
|
1.27 |
5.06 |
-45.89 |
2 |
5 |
1 |
55 |
275.328 |
1 |
↓
|
Rings
-
Pyrrolidine
-
2,3-dihydro-1,4-dioxine
-
Benzene
-
1,2,3,3a,4,5,6,6a-octahydropyrro…
-
2,3-dihydro-1,4-benzodioxine
-
3,3a,4,5,6,6a-hexahydro-2H-pyrro…
No pre-computed analogs available. Try a structural similarity search.