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Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5291476 Name:
8-(2-(4-((3-(2,5-difluorophenyl)propyl)amino)-2-ox
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Mol. Formula:
C28H32F3N3O3
M.W.:
515.58
Type:
---
AlogP:
4.04
Polar Surface Area:
76.38
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5291464 Name:
methyl 7-amino-4-oxo-5-phenyl-2-thioxo-2,3,4,5-tet
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Mol. Formula:
C15H13N3O4S
M.W.:
331.35
Type:
---
AlogP:
1.30
Polar Surface Area:
110.20
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5291424 Name:
(6S,6aR,7S,12aR)-7-(4-hydroxystyryl)-8-methoxy-6-p
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Mol. Formula:
C31H26O6
M.W.:
494.54
Type:
---
AlogP:
6.49
Polar Surface Area:
88.38
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5291394 Name:
Hyperibone I
Mol. Formula:
C33H42O5
M.W.:
518.69
Type:
---
AlogP:
6.57
Polar Surface Area:
80.67
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5291338 Name:
N-(3-(1H-imidazol-1-yl)propyl)-N-(benzo[d]thiazol-
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Mol. Formula:
C18H16N4O2S
M.W.:
352.42
Type:
---
AlogP:
3.82
Polar Surface Area:
64.16
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5291337 Name:
4-(di(1H-pyrrol-2-yl)methyl)benzoic acid
Mol. Formula:
C16H14N2O2
M.W.:
266.30
Type:
---
AlogP:
3.22
Polar Surface Area:
68.88
HBA:
1
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5291311 Name:
(2S,5S,8S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,
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Mol. Formula:
C100H176N26O18
M.W.:
2030.67
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5291221 Name:
methyl 7-amino-5-(4-nitrophenyl)-4-oxo-2-thioxo-2,
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Mol. Formula:
C15H12N4O6S
M.W.:
376.35
Type:
---
AlogP:
1.21
Polar Surface Area:
153.34
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5291144 Name:
8-chloro-1-cyclopropyl-6-fluoro-7-(3-((2-hydroxy-3
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Mol. Formula:
C23H24ClFN6O6
M.W.:
534.93
Type:
---
AlogP:
2.16
Polar Surface Area:
155.76
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5291118 Name:
1-[3-[(2S,5S,8S,11S,14S)-5-(3-guanidinopropyl)-8,1
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Mol. Formula:
C45H54N14O5
M.W.:
871.02
Type:
---
AlogP:
1.12
Polar Surface Area:
316.67
HBA:
7
HBD:
14
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA5291090 Name:
Mol. Formula:
C95H131Cl2N15O28
M.W.:
2002.08
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5291039 Name:
8-bromo-6-(tert-butyl)-1-(4-methoxyphenyl)-6H-furo
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Mol. Formula:
C21H20BrNO2
M.W.:
398.30
Type:
---
AlogP:
6.58
Polar Surface Area:
27.30
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5291037 Name:
(5S,7S,9S,12S,14S,15S)-15-[(S)-(3,5-dihydroxypheny
Show More⌵
Mol. Formula:
C29H50O6
M.W.:
494.71
Type:
---
AlogP:
5.74
Polar Surface Area:
118.22
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5291005 Name:
3-(2,3-dichlorophenyl)-6-fluoro-5H-[1,2,4]oxadiazo
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Mol. Formula:
C11H4Cl2FN3O2
M.W.:
300.08
Type:
---
AlogP:
2.80
Polar Surface Area:
60.40
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5290999 Name:
N-[[(5S)-2-oxo-3-[4-[(3,5,6-trimethylpyrazin-2-yl)
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Mol. Formula:
C23H24N4O5
M.W.:
436.47
Type:
---
AlogP:
3.33
Polar Surface Area:
106.79
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5290990 Name:
2-(1-(4-(3-(4-(cyclopropylethynyl)phenyl)ureido)ph
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Mol. Formula:
C21H22N6O
M.W.:
374.45
Type:
---
AlogP:
3.30
Polar Surface Area:
115.39
HBA:
3
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5290941 Name:
3-methoxy-8-(piperidin-1-yl)-10,11-dihydrodibenzo[
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Mol. Formula:
C20H23NO4
M.W.:
341.41
Type:
---
AlogP:
3.99
Polar Surface Area:
62.16
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA5290938 Name:
Hyperibone L
Mol. Formula:
C29H36O4
M.W.:
448.60
Type:
---
AlogP:
6.58
Polar Surface Area:
71.44
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5290925 Name:
2-(2,3-dichloro-6-hydroxyphenyl)-4-(1,3-diphenyl-1
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Mol. Formula:
C34H21Cl2N3O3
M.W.:
590.47
Type:
---
AlogP:
8.85
Polar Surface Area:
81.15
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
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