The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
ALA4878602 Name:
1-(2,3-dihydroxy-4-(2-(2-methyl-5-nitro-1H-imidazo
Show More⌵
Mol. Formula:
C20H18N4O8
M.W.:
442.38
Type:
Unknown
AlogP:
2.92
Polar Surface Area:
170.86
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4877282 Name:
tetra-(L-phenylalanine ethyl ester)[(2-(guanine-9-
Show More⌵
Mol. Formula:
C55H71N9O13P2
M.W.:
1128.17
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4875783 Name:
5-isopropyl-2-methylphenyl 2-(2-methyl-5-nitro-1H-
Show More⌵
Mol. Formula:
C16H19N3O4
M.W.:
317.35
Type:
Unknown
AlogP:
3.14
Polar Surface Area:
87.26
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5286625 Name:
Isomasticadienolic acid
Mol. Formula:
C30H48O3
M.W.:
456.71
Type:
---
AlogP:
7.54
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5280919 Name:
5-((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)-2
Show More⌵
Mol. Formula:
C12H9N5O3S2
M.W.:
335.37
Type:
---
AlogP:
2.28
Polar Surface Area:
102.42
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5290146 Name:
Isobrasiliensic acid
Mol. Formula:
C32H46O6
M.W.:
526.71
Type:
---
AlogP:
7.43
Polar Surface Area:
100.90
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5287831 Name:
2-(1-Methyl-5-nitro-1H-imidazol-2-yl)-5-((1-phenyl
Show More⌵
Mol. Formula:
C14H13N5O2S2
M.W.:
347.43
Type:
---
AlogP:
3.70
Polar Surface Area:
86.74
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5315706 Name:
7-(4-(2-(2-chlorophenyl)-2-(methoxyimino)ethyl)pip
Show More⌵
Mol. Formula:
C26H26ClFN4O4
M.W.:
512.97
Type:
---
AlogP:
4.00
Polar Surface Area:
87.37
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4859287 Name:
Tetra-(L-phenylalanine ethyl ester)(2-((2-(guanin-
Show More⌵
Mol. Formula:
C62H87N11O10P2
M.W.:
1208.39
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4857527 Name:
Saccharothrixin K
Mol. Formula:
C25H24O8
M.W.:
452.46
Type:
Unknown
AlogP:
1.69
Polar Surface Area:
136.68
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4860230 Name:
tetra-(L-alanine ethyl ester)[3R,4R]-4-Guanin-9-yl
Show More⌵
Mol. Formula:
C33H56N10O14P2
M.W.:
878.81
Type:
Unknown
AlogP:
-0.66
Polar Surface Area:
326.82
HBA:
18
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4849794 Name:
5-hydroxy-3-(4-hydroxyphenyl)-7-(2-(2-methyl-5-nit
Show More⌵
Mol. Formula:
C21H17N3O7
M.W.:
423.38
Type:
Unknown
AlogP:
3.36
Polar Surface Area:
140.86
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4848194 Name:
tetra-(L-phenylalanine ethyl ester)[3R,4R]-4-Guani
Show More⌵
Mol. Formula:
C57H72N10O14P2
M.W.:
1183.21
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4848117 Name:
Saccharothrixin G
Mol. Formula:
C20H20O6
M.W.:
356.37
Type:
Unknown
AlogP:
1.12
Polar Surface Area:
99.52
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA2297974 Name:
(5Z)-5-(2-Oxoindolin-3-ylidene)-2-(4-phenylthiazol
Show More⌵
Mol. Formula:
C21H14N4O2S2
M.W.:
418.50
Type:
Small molecule
AlogP:
4.28
Polar Surface Area:
83.45
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA2297973 Name:
(5Z)-5-(2-Oxoindolin-3-ylidene)-2-(thiazol-2-ylimi
Show More⌵
Mol. Formula:
C15H10N4O2S2
M.W.:
342.41
Type:
Small molecule
AlogP:
2.61
Polar Surface Area:
83.45
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA2297972 Name:
(5Z)-2-(Benzodthiazol-2-ylimino)-5-((1-methyl-5-ni
Show More⌵
Mol. Formula:
C16H11N5O3S2
M.W.:
385.43
Type:
Small molecule
AlogP:
3.43
Polar Surface Area:
102.42
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA2297971 Name:
(5Z)-2-(4-(4-Methoxyphenyl)thiazol-2-ylimino)-5-((
Show More⌵
Mol. Formula:
C19H15N5O4S2
M.W.:
441.49
Type:
Small molecule
AlogP:
3.96
Polar Surface Area:
111.65
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA2297970 Name:
(5Z)-5-((1-Methyl-5-nitro-1H-imidazol-2-yl)methyle
Show More⌵
Mol. Formula:
C18H13N5O3S2
M.W.:
411.47
Type:
Small molecule
AlogP:
3.95
Polar Surface Area:
102.42
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2297969 Name:
(5Z)-5-((1-Methyl-5-nitro-1H-imidazol-2-yl)methyle
Show More⌵
Mol. Formula:
C12H9N5O3S2
M.W.:
335.37
Type:
Small molecule
AlogP:
2.28
Polar Surface Area:
102.42
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description