BiSSCat Substructure Search
Home	Help	FGROUP	SUBSTRUCTURE	compound	enzyme	Multiple

Elements
Database	compound fgroup substructure atom bond conj frag ring skel vici
Properties	Include Exclude Reset 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	10
5-membered aromatic ring	Not included.
6-membered aromatic ring	10
conjugated double bond	12
carboxylate	Not included.
Positive charge	Not included.
Negative charge	Not included.
Donor atom	Not included.
Acceptor atom	2
Polar atom	Not included.
Hydrophobic atom	10
Undefined atom	2
hand	1
amide	Not included.
Ring	10
3-membered ring	Not included.
4-membered ring	Not included.
5-membered ring	Not included.
6-membered ring	10
resonance	12
sp1 atom	Not included.
sp2 atom	12
sp3 atom	2
x0	Not included.
x1	3
x2	5
x3	6
x4	Not included.

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BiSSCat v1.06.20 http://bisscat.org/
Developed by Masaaki Kotera, Department of Biochemistry, Trinity College Dublin.
Science Foundation of Ireland is gratefully acknowledged.