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ALA4649004 Name:
3-(4-hydroxyphenyl)-1,6-dimethyl-pyrimido[5,4-e][1
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Mol. Formula:
C13H11N5O3
M.W.:
285.26
Type:
Unknown
AlogP:
-0.25
Polar Surface Area:
102.90
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4648737 Name:
(6-[[(E)-[2-(dimethylamino)phenyl]methyleneamino]-
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Mol. Formula:
C15H19N5O2
M.W.:
301.35
Type:
Unknown
AlogP:
0.61
Polar Surface Area:
73.70
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4648732 Name:
4-(1,6-dimethyl-5,7-dioxo-pyrimido[5,4-e][1,2,4]tr
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Mol. Formula:
C14H10N6O2
M.W.:
294.27
Type:
Unknown
AlogP:
-0.09
Polar Surface Area:
106.46
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4648103 Name:
4(6-[[(E)-(4-methoxyphenyl)methyleneamino]-methyl-
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Mol. Formula:
C14H16N4O3
M.W.:
288.31
Type:
Unknown
AlogP:
0.55
Polar Surface Area:
79.69
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4647422 Name:
(6-[[(E)-(4-hydroxyphenyl)methyleneamino]-methyl-a
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Mol. Formula:
C13H14N4O3
M.W.:
274.28
Type:
Unknown
AlogP:
0.25
Polar Surface Area:
90.69
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4646564 Name:
6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4]triazin
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Cas Number:
42285-76-7
Mol. Formula:
C12H9N5O2
M.W.:
255.24
Type:
Unknown
AlogP:
0.03
Polar Surface Area:
93.53
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4646339 Name:
3-[2-(dimethylamino)phenyl]-1,6-dimethyl-pyrimido[
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Mol. Formula:
C15H16N6O2
M.W.:
312.33
Type:
Unknown
AlogP:
0.11
Polar Surface Area:
85.91
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4643919 Name:
(6-[[(E)-benzylideneamino]-methyl-amino]-3-methyl-
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Mol. Formula:
C13H14N4O2
M.W.:
258.28
Type:
Unknown
AlogP:
0.54
Polar Surface Area:
70.46
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4640783 Name:
1,6-dimethyl-3-(1-methyl-2-oxo-4-pyridyl)pyrimido[
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Mol. Formula:
C13H12N6O3
M.W.:
300.28
Type:
Unknown
AlogP:
-1.26
Polar Surface Area:
104.67
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4640696 Name:
4-(1,6-dimethyl-5,7-dioxo-pyrimido[5,4-e][1,2,4]tr
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Mol. Formula:
C13H12N6O4S
M.W.:
348.34
Type:
Unknown
AlogP:
-1.31
Polar Surface Area:
142.83
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4640130 Name:
1,5-dimethyl-3-phenyl-imidazo[4,5-e][1,2,4]triazin
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Mol. Formula:
C12H11N5O
M.W.:
241.25
Type:
Unknown
AlogP:
0.68
Polar Surface Area:
65.60
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4639254 Name:
methyl-1-[4-(1,6-dimethyl-5,7-dioxo-pyrimido[5,4-e
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Mol. Formula:
C18H17N5O4
M.W.:
367.37
Type:
Unknown
AlogP:
0.25
Polar Surface Area:
108.97
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4636575 Name:
3-methyl-6-phenyl-1H-quinazoline-2,4-dione
Mol. Formula:
C15H12N2O2
M.W.:
252.27
Type:
Unknown
AlogP:
1.89
Polar Surface Area:
54.86
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.72
DETAILS
CLOSE
ALA4633118 Name:
(6-[[(E)-(4-fluorophenyl)methyleneamino]-methyl-am
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Mol. Formula:
C13H13FN4O2
M.W.:
276.27
Type:
Unknown
AlogP:
0.68
Polar Surface Area:
70.46
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5275243 Name:
2-(piperazin-1-ylmethyl)isonicotinic acid
Mol. Formula:
C11H15N3O2
M.W.:
221.26
Type:
---
AlogP:
0.18
Polar Surface Area:
65.46
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5203320 Name:
2-(1H-pyrrol-2-yl)isonicotinic acid
Mol. Formula:
C10H8N2O2
M.W.:
188.19
Type:
---
AlogP:
1.77
Polar Surface Area:
65.98
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5191740 Name:
1-((S)-5-((S)-2-((S)-2-aminopropanamido)-5-guanidi
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Mol. Formula:
C25H43N11O10
M.W.:
657.69
Type:
---
AlogP:
-4.85
Polar Surface Area:
350.09
HBA:
13
HBD:
12
#RO5 Violations:
3
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
Type:
---
AlogP:
0.82
Polar Surface Area:
62.22
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4294944 Name:
1-(4-(1H-tetrazol-5-yl)pyridin-2-yl)-3-(3-chlorobe
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Mol. Formula:
C16H12ClN7O
M.W.:
353.77
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
105.40
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4294755 Name:
5-(4-(4-(2H-tetrazol-5-yl)pyridin-2-yl)-1-methyl-1
Show More⌵
Mol. Formula:
C23H17FN8O
M.W.:
440.44
Type:
Small molecule
AlogP:
3.72
Polar Surface Area:
114.27
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
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