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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
QSAR using an accepted calculation method. The assessed substance is within the domain of the QSAR.
Qualifier:
no guideline followed
Principles of method if other than guideline:
No information available on test method.
GLP compliance:
no
Type of method:
other: QSAR
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
-3.32
Remarks on result:
other: Chmelik, J et al. (1991)
Conclusions:
Log Kow: -3.32
The partition coefficient was retrieved from EpiSuite's WSKOW model.
Executive summary:

The partition coefficient was retrieved from EpiSuite's WSKOW model and the Log Kow found to be -3.32.

L-histidine is considered to be inside the applicability domain of the EpiSuite WSKOW model since the following criteria are fulfilled:

- the molecular weight of L-histidine is within the molecular weight range of the training set

- L-histidine is within the water solubility and log Kow range of the training set

- all functional groups present in L-histidine are represented in the training set and have a fragment coefficient available

Description of key information

Log Kow: -3.32   (estimated via QSAR)

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.32
at the temperature of:
25 °C

Additional information

The partition coefficient was estimated by EpiSuite's WSKOW model and the Log Kow found to be -3.32.

The suitability of the model was assessed and it was concluded that L-histidine is considered to be inside the applicability domain of the EpiSuite WSKOW model.