pKa adenine

User 5508363905

10-05-2006 21:52:15

the pKa values predicted for adenine appear to be significantly different from literature values:

N1 5.82 (marvin), 4.15 (lit)

N9 (acidic) 7.41 (marvin) 9.88 (lit)

any ideas?

User 851ac690a0

11-05-2006 22:41:36

Dear Carls,

Thanks for your message.

With the improved pKa calculator I have got the next results. See attached picture.

Please note that we continiously improve the accuracy of the pKa calculator.


User 5508363905

18-05-2006 17:06:51

when do you expect the updated pKa plugin to be released? I installed version 4 and get the same erroneous pKa values for nucleobases

User 5508363905

18-05-2006 22:41:30

Installed version 4.1 not 4 as in previous message.

User 851ac690a0

19-05-2006 12:02:18

Dear Carl,

New version will be released in a couple of days.