Compounds

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ALA4860539
Name:
3-O-[(5-Carboxy-1H-benzo[d]imidazol-2-yl)-methyl]-D-galactal
Mol. Formula:
C15H16N2O6
M.W.:
320.30
21 activity values
10 unique targets
Type:
Unknown
AlogP:
0.41
Polar Surface Area:
124.90
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4855576
Name:
3-O-[(5-Methoxycarbonyl-1H-benzo[d]imidazol-2-yl)-methyl]-D-galactal
Mol. Formula:
C16H18N2O6
M.W.:
334.33
18 activity values
8 unique targets
Type:
Unknown
AlogP:
0.50
Polar Surface Area:
113.90
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA488847
Name:
(2R,3S,4S,5S,6R)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-[(4-methylphenyl)cShow More⌵
Mol. Formula:
C23H26O8
M.W.:
430.45
7 activity values
4 unique targets
Type:
Small molecule
AlogP:
1.78
Polar Surface Area:
111.52
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA486246
Name:
triethylammonium (2R,3S,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-(Show More⌵
Mol. Formula:
C22H38NO10P
M.W.:
507.52
7 activity values
4 unique targets
Type:
Small molecule
AlogP:
0.38
Polar Surface Area:
140.98
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA479534
Name:
triethylazanium (2R,3S,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[(Show More⌵
Mol. Formula:
C29H44NO10P
M.W.:
597.64
7 activity values
4 unique targets
Type:
Small molecule
AlogP:
2.26
Polar Surface Area:
140.98
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA471377
Name:
triethylammonium (2R,3S,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-(Show More⌵
Mol. Formula:
C21H36NO9P
M.W.:
477.49

Type:
Small molecule
AlogP:
0.01
Polar Surface Area:
131.75
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA511306
Name:
triethylammonium (2R,3S,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-(Show More⌵
Mol. Formula:
C21H35NO10S
M.W.:
493.58
7 activity values
4 unique targets
Type:
Small molecule
AlogP:
-0.57
Polar Surface Area:
148.82
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA471376
Name:
(2R,3S,4S,5S,6R)-3-acetoxy-5-hydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydroShow More⌵
Mol. Formula:
C17H22O8
M.W.:
354.36
12 activity values
6 unique targets
Type:
Small molecule
AlogP:
0.18
Polar Surface Area:
111.52
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE