Inchi key

Hb donor

Tautomer number

Atom number

Logp

Polar surface area

Stage

Name

Logd

YMARZQAQMVYCKC-RKPZHZFKBN

3

2

70

2.38

139.57

Commercial

FDA-Agenerase

2.5

NZPXPXAGXYTROM-YKPJHVMUBZ

0

10

75

7.14

114

Commercial

FDA-Aptivus

6.2

QDRMCFDXPIEYGX-XSBXPMGLBM

1

162

133

0.72

195.25

Commercial

FDA-Atripla

3

LHCOVOKZWQYODM-AKUSELONBT

2

9

58

-2.47

108.3

Commercial

FDA-Combivir

-3.4

ZZHIRSCAVGFBKE-UHFFFAOYAA

0

3

23

1.02

45.76

R&D

LC-PR-1

1.1

CBVCZFGXHXORBI-IXYYIQBABV

4

9

92

2.58

118.03

Commercial

FDA-Crixivan

2.1

XQSPYNMVSIKCOC-KIJMNMGRBZ

2

3

26

-1.31

113.45

Commercial

FDA-Emtriva

0.1

JTEGQNOMFQHVDC-ZCIVMJCZBB

2

3

26

-1.27

113.45

Commercial

FDA-Epivir

-0.3

MBFKCGGQTYQTLR-ZUCZGPQLBE

3

6

46

0.62

101.88

Commercial

FDA-Epzicom

0.4

WREGKURFCTUGRC-KSLURUABBM

2

3

28

-1.23

88.15

Commercial

FDA-Hivid

-0.4

PYGWGZALEOIKDF-UHFFFAOYAM

2

6

43

5.24

120.64

Commercial

FDA-Intelence

5.2

ZEJGORPKXHJSER-FYWRMAATBT

2

44

53

0.14

152.85

Commercial

FDA-Isentress

-2.9

Table 2: Sample selection from the Ligand table.