ACD/pKa DB

ACD/pKa DB

Advanced Chemistry Development, Inc., (ACD/Labs)

ACD/pKa DB quickly and accurately calculates acid-base ionization constants (pKa values) under 25°C and zero ionic strength in aqueous solutions for almost any drawn organic structure using Hammett ...read more

Request Pricing





Receive your quote directly from Advanced Chemistry Development, Inc., (ACD/Labs) for ACD/pKa DB

Description

 

ACD/pKa DB quickly and accurately calculates acid-base ionization constants (pKa values) under 25°C and zero ionic strength in aqueous solutions for almost any drawn organic structure using Hammett equations derived from a library of highly curated compounds. In addition, two reference databases are available that offer quick look-up of published data—one containing more than 31,000 experimental pKa values for approximately 16,000 compounds in aqueous solutions; the other providing experimental data for more than 2000 molecules in non-aqueous solvents.

Prediction accuracy can be further improved for novel or rare chemical classes through algorithm training with in-house experimental data.

ACD/pKa DB is used by pharmaceutical and API companies worldwide, and has been tested on a broad variety of chemical classes.

Key Capabilities

• Calculation of apparent, approximate, and exact microscopic constants and single pKa
• Ability to train the algorithm with experimental measurements to improve predictions for novel/proprietary compounds

Also Available

ACD/pKa Batch—predict pKa values for thousands of compounds at one time with minimal operator intervention. Also, predict molecular structure based on pH and/or ionization states of interest.

Feedback

Request info

To:Advanced Chemistry Development, Inc., (ACD/Labs)
From:
Please contact me / call me with the ACD/pKa DB,

I am looking to purchase in /

.
About you

Write a review

Sharing your experience will help scientists like you. Achieve Reviewer Status and Win an iPad air (All reviews published will be entered into the next drawing on May 30th 2014).

  
Your Email

 



Ease of use

After sales services

Value for money

WATCH:
The benefits of becoming a reviewer
Share your opinions...()
HINTS & TIPS
Give reasons for the star ratings you have awarded for each area.
Would you recommend this to a colleague?
What would you like to have known about equipment and consumables before you purchased?



Why make an enquiry with SelectScience?

  • EASY It’s quick and simple to do
  • FAST Your enquiry will be delivered straight to the manufacturer
  • FREE You’re under no obligation
  • SECURE We only pass your details on to trusted suppliers at your request
  • SAVE TIME Submit your details once and make multiple enquiries
SelectScience Trusted Banner