openmolecules.org Forum: Cheminformatics » Where do pKa values in pKaInWater.dwar come from ?

Home » DataWarrior » Cheminformatics » Where do pKa values in pKaInWater.dwar come from ? (pKa Values)

Show: Today's Messages :: Polls :: Message Navigator

Where do pKa values in pKaInWater.dwar come from ? [message #269]

Wed, 17 May 2017 17:42

DrFunkenstein
Messages: 1
Registered: May 2017
Location: Research Triangle Park, N...

Junior Member

Hi,

7913 pKa values are provided in the pKaInWater.dwar file (thank you!!!). I'm wondering where these values came from? Literature? In-house experiments?

Thanks!
DrFunkenstein

Best,

Neal Cariello
neal.cariello@gmail.com

Report message to a moderator

[Message index]

		Where do pKa values in pKaInWater.dwar come from ? By: DrFunkenstein on Wed, 17 May 2017 17:42
		Re: Where do pKa values in pKaInWater.dwar come from ? By: thomas on Sun, 28 May 2017 00:30
		Re: Where do pKa values in pKaInWater.dwar come from ? By: chem95 on Tue, 19 March 2019 18:49
		Re: Where do pKa values in pKaInWater.dwar come from ? By: thomas on Wed, 20 March 2019 23:14
		Re: Where do pKa values in pKaInWater.dwar come from ? By: chem95 on Thu, 21 March 2019 22:28
		Re: Where do pKa values in pKaInWater.dwar come from ? By: thomas on Sun, 24 March 2019 22:42

Previous Topic:	Reading in JSON files....
Next Topic:	issue with permeability

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Wed Apr 15 21:29:13 CEST 2026

Total time taken to generate the page: 0.00643 seconds