Registration Dossier

Administrative data

Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Study period:
2002
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2002
Report Date:
2002

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Estimation based on chemical structure.
GLP compliance:
no

Results and discussion

Dissociating properties:
no

Applicant's summary and conclusion

Executive summary:

Except for the aliphatic OH-group ZK 34517 does not contain any functional group which can be

protonated or deprotonated significantly in aqueous solution.

For the aliphatic hydroxyl groups pKa values of 14.6 and 15.3 were calculated with the

computer program ACD/pKa DB.

Therefore ZK 34517 is to be considered a neutral molecule in the pH range 2 to 10, which is of

relevance for aqueous biological systems.