Amino Acids

1-histidine (iso-histidine)

Abbrevation Ihi

Canonical SMILES NC(Cn1ccnc1)C(=O)O

ClogD7 -1.20000000

Approved

1-methyl-histidine

Abbrevation MeHis

Canonical SMILES NC(Cc1cncn1C)C(=O)O

ClogD7 -0.87000000

Approved

1-methyl-tryptophan

Abbrevation 1MeTrp

Canonical SMILES O=C(O)C(N)Cc1cn(C)c2ccccc21

ClogD7 1.36000000

Approved

1-tetrazolo-alanine

Abbrevation 1TezAla

Canonical SMILES NC(Cn1cnnn1)C(=O)O

ClogD7 -1.79000000

Approved

4-aminotryptophan

Abbrevation 4AmTrp

Canonical SMILES O=C(O)C(N)Cc1c[nH]c2cccc(N)c21

ClogD7 0.31000000

Approved

4-azatryptophan

Abbrevation 4AzTrp

Canonical SMILES O=C(O)C(N)Cc1c[nH]c2cccnc21

ClogD7 0.31000000

Approved

4-fluorotryptophan

Abbrevation 4FTrp

Canonical SMILES O=C(O)C(N)Cc1c[nH]c2cccc(F)c21

ClogD7 1.28000000

Approved

5-azatryptophan

Abbrevation 5AzTrp

Canonical SMILES O=C(O)C(N)Cc1c[nH]c2ccncc21

ClogD7 -0.85000000

Approved

5-bromotryptophan

Abbrevation 5BrTrp

Canonical SMILES O=C(O)C(N)Cc1c[nH]c2ccc(Br)cc21

ClogD7 1.91000000

Approved

5-fluorotryptophan

Abbrevation 5FTrp

Canonical SMILES O=C(O)C(N)Cc1c[nH]c2ccc(F)cc21

ClogD7 1.28000000

Approved

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