HBDA Plug-in: Error in HBA count with indolizine

User 81a38f9467

08-03-2011 20:07:07

I am using MarvinSketch 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.

User 851ac690a0

08-03-2011 23:48:32



Thank you for testing. I have fixed this bug even now.