Compounds

Select all

ALA3817928
Name:
(S)-2-((S)-2-amino-3-(4-hydroxy-3-[125I]iodophenyl)propanamido)-5-guanidinoShow More⌵
Mol. Formula:
C15H23IN6O3
M.W.:
460.29
32 activity values
17 unique targets
Type:
Small molecule
AlogP:
-0.90
Polar Surface Area:
180.34
HBA:
5
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA2178997
Name:
18-[18F]Fluoro-4-thia-(9Z)-octadec-9-enoic Acid
Mol. Formula:
C17H31FO2S
M.W.:
317.50
72 activity values
8 unique targets
Type:
Small molecule
AlogP:
5.62
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA2178996
Name:
16-[18F]Fluoro-4-thiahexadecanoic Acid
Mol. Formula:
C15H29FO2S
M.W.:
291.46
72 activity values
8 unique targets
Type:
Small molecule
AlogP:
5.06
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA2178995
Name:
18-[18F]Fluoro-4-thiaoctadecanoic Acid
Mol. Formula:
C17H33FO2S
M.W.:
319.52
72 activity values
8 unique targets
Type:
Small molecule
AlogP:
5.85
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA2178994
Name:
18-[18F]Fluoro-6-thiaoctadecanoic Acid
Mol. Formula:
C17H33FO2S
M.W.:
319.52
72 activity values
8 unique targets
Type:
Small molecule
AlogP:
5.85
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA1210368
Name:
[18F]-5-6-Benzyl-N-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Mol. Formula:
C19H17FN2O2
M.W.:
323.36
76 activity values
10 unique targets
Type:
Small molecule
AlogP:
2.82
Polar Surface Area:
61.96
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE