User 81a38f9467
08-03-2011 20:07:07
I am using MarvinSketch 5.4.1.0 and noticed a problem with the hydrogen bond acceptor count of certain nitrogen heterocycles. The ring junction nitrogen of indolizine is not a hydrogen bond acceptor, just as the nitrogen in N-methylpyrrole is not an HBA.
In the second example, one tautomer of an imidazotriazine correctly shows the ring junction nitrogen as not being a hydrogen bond acceptor, while the other tautomer does not get the HBA calculation correct.
I hope that this bug can be fixed so that indolizine type nitrogens are not counted as HBAs.