Answers.Body: <p>You can calculate their polar surface area or logo using rdkit or openbabel. Other molecular properties may be available as well. </p>
  
Answers.ContentLicense: CC BY-SA 4.0
Answers.CreationDate: 2020-05-22T06:23:14.683Z
Answers.Text: I see, you mean like TPSA of the molecule? Also, is there some cutoff that can be used there, in a way like TPSA of 100-150+ is considered that molecule is polar, while TPSA<100 is considered as hydrophobic molecule?
Answers.UserDisplayName: djordje
Answers.ContentLicense: CC BY-SA 4.0
Answers.CreationDate: 2020-05-22T08:24:14.757Z
Answers.Text: I am not sure what are the threshold or if there is a threshold or you look at literature
Answers.UserDisplayName: BND
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Answers.CreationDate: 2020-05-21T17:37:15.730Z
Answers.LastActivityDate: 2020-05-21T17:37:15.730Z
Answers.UserDisplayName: BND
Body: <p>I have lot of SMILES IDs of the ligands. What I am interested in is the polarity and hydrophobicity score of each of the ligands.</p>
  
  <p>In other words, does ligand have more polar groups and can it make more polar interactions or is it more hydrophobic?</p>
  
  <p>Does anybody know the way/software to look at it?</p>
  
  <p>Best</p>
  
Tags: <database>
Title: Calculating polarity and hydrophobicity of a ligand/small molecule
ThreadText: # Calculating polarity and hydrophobicity of a ligand/small molecule
  
  (Asked by: username_0 on 2020-05-20)
  
  I have lot of SMILES IDs of the ligands. What I am interested in is the polarity and hydrophobicity score of each of the ligands.
  
  In other words, does ligand have more polar groups and can it make more polar interactions or is it more hydrophobic?
  
  Does anybody know the way/software to look at it?
  
  Best
  
  **Tags:** database
  
  
  ---
  
  ## 1 answers
  
  ### Answer by username_1 on 2020-05-21. Score: 1 | Accepted answer
  
  You can calculate their polar surface area or logo using rdkit or openbabel. Other molecular properties may be available as well.
  
  > **Comments:**
  > **username_0**: I see, you mean like TPSA of the molecule? Also, is there some cutoff that can be used there, in a way like TPSA of 100-150+ is considered that molecule is polar, while TPSA<100 is considered as hydrophobic molecule?  
  > **username_1**: I am not sure what are the threshold or if there is a threshold or you look at literature  
  
  ---
  
  