BiSSCat
Substructure Search
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FGROUP
SUBSTRUCTURE
compound
enzyme
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Elements
Database
compound
fgroup
substructure
atom
bond
conj
frag
ring
skel
vici
Properties
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ORBITAL
- sp
- sp2
- sp3
RING
- 3-membered ring
- 4-membered ring
- 5-membered ring
- 6-membered ring
AROMATIC RING
- 5-membered aromatic ring
- 6-membered aromatic ring
TOPOLOGY
- Attached to 0 non-hydrogen atom
- Attached to 1 non-hydrogen atom
- Attached to 2 non-hydrogen atoms
- Attached to 3 non-hydrogen atoms
- Attached to 4 non-hydrogen atoms
ELECTROCHEMICAL PROPERTIES
- Cation
- Anion
- Donor of hydrogen bond
- Acceptor of hydrogen bond
- Polar
- Hydrophobic
- None
OTHER PROPERTIES
- Nitrogen of amide
- Carbon of carboxylate
- Conjugated double bonds
- Resonance
Aromatic ring
Not included.
5-membered aromatic ring
Not included.
6-membered aromatic ring
Not included.
conjugated double bond
1
carboxylate
Not included.
Positive charge
Not included.
Negative charge
Not included.
Donor atom
Not included.
Acceptor atom
1
Polar atom
Not included.
Hydrophobic atom
1
Undefined atom
Not included.
hand
1
amide
Not included.
Ring
Not included.
3-membered ring
Not included.
4-membered ring
Not included.
5-membered ring
Not included.
6-membered ring
Not included.
resonance
1
sp1 atom
Not included.
sp2 atom
Not included.
sp3 atom
2
x0
Not included.
x1
1
x2
1
x3
Not included.
x4
Not included.
BiSSCat v1.06.20
http://bisscat.org/
Developed by Masaaki Kotera, Department of Biochemistry, Trinity College Dublin.
Science Foundation of Ireland is gratefully acknowledged.