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ALA4869261 Name:
2-(4-(4-((1-(20-(4-(guanidinomethyl)phenoxy)-3,6,9
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Mol. Formula:
C39H48I4N6O11
M.W.:
1284.46
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4869033 Name:
2-(4-(4-((1-(20-(4-(guanidinomethyl)-2,6-diiodophe
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Mol. Formula:
C41H52I4N6O13
M.W.:
1344.51
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5287343 Name:
2-(1-(2-((((1r,4r)-4-((1H-benzo[d]imidazol-2-yl)am
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Mol. Formula:
C29H35N5O5
M.W.:
533.63
Type:
---
AlogP:
4.04
Polar Surface Area:
136.65
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4864932 Name:
2-(4-(4-(3-(4-(23-(4-(guanidinomethyl)phenoxy)-3,6
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Mol. Formula:
C45H63I4N5O12
M.W.:
1373.64
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1160327 Name:
2-{3-[3'-(2-Carboxy-1-phenyl-ethylsulfamoyl)-4'-me
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Mol. Formula:
C30H27N5O6S
M.W.:
585.64
Type:
Small molecule
AlogP:
5.38
Polar Surface Area:
162.51
HBA:
6
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA1160326 Name:
2-{3-[3'-((R)-2-Carboxy-1-phenyl-ethylsulfamoyl)-4
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Mol. Formula:
C30H27N5O6S
M.W.:
585.64
Type:
Small molecule
AlogP:
5.38
Polar Surface Area:
162.51
HBA:
6
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA1160325 Name:
2-{3-[3'-((S)-2-Carboxy-1-phenyl-ethylsulfamoyl)-4
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Mol. Formula:
C30H27N5O6S
M.W.:
585.64
Type:
Small molecule
AlogP:
5.38
Polar Surface Area:
162.51
HBA:
6
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA1160320 Name:
2-{3-[3'-(2-Carboxy-1-phenyl-ethylsulfamoyl)-biphe
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Mol. Formula:
C29H25N5O5S
M.W.:
555.62
Type:
Small molecule
AlogP:
5.37
Polar Surface Area:
153.28
HBA:
5
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA1083696 Name:
2-((1R,3S,6S,8aR)-6-((S)-2-amino-5-guanidinopentan
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Mol. Formula:
C21H36N6O6
M.W.:
468.56
Type:
Small molecule
AlogP:
-0.74
Polar Surface Area:
200.93
HBA:
7
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA1083695 Name:
(S)-3-(3-methoxy-4-(4-(1,4,5,6-tetrahydropyrimidin
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Cas Number:
247034-73-7
Mol. Formula:
C26H34N6O6S
M.W.:
558.66
Type:
Small molecule
AlogP:
0.76
Polar Surface Area:
161.46
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4791029 Name:
2-((2S,5S,8R,11S)-5-((7-bromo-1H-indol-3-yl)methyl
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Mol. Formula:
C28H38BrN9O7
M.W.:
692.57
Type:
Unknown
AlogP:
-1.06
Polar Surface Area:
260.49
HBA:
7
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4790959 Name:
2-((2S,5R,8S,11S)-5-((7-(3-aminophenyl)-1H-indol-3
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Mol. Formula:
C34H44N10O7
M.W.:
704.79
Type:
Unknown
AlogP:
-0.58
Polar Surface Area:
286.51
HBA:
8
HBD:
11
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4782291 Name:
2-((2S,5R,8S,11S)-5-((7-fluoro-1H-indol-3-yl)methy
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Mol. Formula:
C28H38FN9O7
M.W.:
631.67
Type:
Unknown
AlogP:
-1.69
Polar Surface Area:
260.49
HBA:
7
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4868199 Name:
2-(4-(4-((1-(20-(4-(guanidinomethyl)-2,6-diiodophe
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Mol. Formula:
C39H46I6N6O11
M.W.:
1536.25
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4756649 Name:
(S)-3-(3-(4-Methylpiperazin-1-yl)phenyl)-4-oxo-4-(
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Mol. Formula:
C29H39N5O3
M.W.:
505.66
Type:
Unknown
AlogP:
3.23
Polar Surface Area:
89.01
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4756062 Name:
(S)-3-(3-Cyanophenyl)-4-oxo-4-((R)-3-(2-(5,6,7,8-t
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Mol. Formula:
C25H28N4O3
M.W.:
432.52
Type:
Unknown
AlogP:
3.35
Polar Surface Area:
106.32
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4776662 Name:
(S)-4-Oxo-3-phenyl-4-(3-(3-(5,6,7,8-tetrahydro-1,8
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Mol. Formula:
C24H29N3O3
M.W.:
407.51
Type:
Unknown
AlogP:
3.48
Polar Surface Area:
82.53
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4776531 Name:
(S)-3-(3,5-Dimethylphenyl)-4-oxo-4-((R)-3-(2-(5,6,
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Mol. Formula:
C26H33N3O3
M.W.:
435.57
Type:
Unknown
AlogP:
4.10
Polar Surface Area:
82.53
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4776138 Name:
(S)-3-(3,5-Dibromophenyl)-4-oxo-4-((R)-3-(2-(5,6,7
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Mol. Formula:
C24H27Br2N3O3
M.W.:
565.31
Type:
Unknown
AlogP:
5.00
Polar Surface Area:
82.53
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5268482 Name:
2-(1-(2-((((1r,4r)-4-((1H-benzo[d]imidazol-2-yl)am
Show More⌵
Mol. Formula:
C28H33N5O4
M.W.:
503.60
Type:
---
AlogP:
4.04
Polar Surface Area:
127.42
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
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