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ALA4860546 Name:
1-(2-(5-(4-(4-Ammoniumbutyl)-1H-1,2,3-triazol-1-yl
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Mol. Formula:
C31H35F3N8O4S
M.W.:
672.73
Type:
Unknown
AlogP:
4.10
Polar Surface Area:
123.22
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4859916 Name:
1-(2-(2-(4-(2-([1,1'-Biphenyl]-4-yl)ethyl)thiazol-
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Mol. Formula:
C35H36F3N7O4S
M.W.:
707.78
Type:
Unknown
AlogP:
5.14
Polar Surface Area:
111.19
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4859330 Name:
1-(2-(5-(4-(4-Ammoniumbutyl)-1H-1,2,3-triazol-1-yl
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Mol. Formula:
C30H32F3N7O5S
M.W.:
659.69
Type:
Unknown
AlogP:
3.68
Polar Surface Area:
120.42
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4879323 Name:
1-(2-(5-(4-(4-Ammoniumbutyl)-1H-1,2,3-triazol-1-yl
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Mol. Formula:
C30H34F3N7O4S
M.W.:
645.71
Type:
Unknown
AlogP:
3.86
Polar Surface Area:
111.19
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4879027 Name:
1-(2-(5-(4-(4-Ammoniobutyl)-1H-1,2,3-triazol-1-yl)
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Mol. Formula:
C40H38F3N7O4S
M.W.:
769.85
Type:
Unknown
AlogP:
7.08
Polar Surface Area:
111.19
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4878679 Name:
4-(1-(3-(2-(2-oxoimidazolidin-1-yl)ethoxy)-4-(4-ph
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Mol. Formula:
C28H30N6O4S
M.W.:
546.65
Type:
Unknown
AlogP:
3.99
Polar Surface Area:
122.47
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4874521 Name:
(S)-2-((2S,3S)-2-((2S,3S)-2-((S)-6-amino-2-((S)-py
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Mol. Formula:
C65H119N17O16
M.W.:
1394.77
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4874435 Name:
1-(2-(2-(4-(2-([4-Phenyloxyphenyl]-1-yl)ethyl)-5-p
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Mol. Formula:
C42H42F3N7O5S
M.W.:
813.90
Type:
Unknown
AlogP:
7.32
Polar Surface Area:
120.42
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4848972 Name:
1-(2-(5-(4-(4-aminobutyl)-1H-1,2,3-triazol-1-yl)-2
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Mol. Formula:
C27H36F3N7O4S
M.W.:
611.69
Type:
Unknown
AlogP:
3.66
Polar Surface Area:
111.19
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4848781 Name:
1-(2-(5-(2-((2-aminoethylamino)methyl)-1H-imidazol
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Mol. Formula:
C32H35N7O2S
M.W.:
581.75
Type:
Unknown
AlogP:
4.39
Polar Surface Area:
110.33
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4848711 Name:
1-(2-(5-(4-Butyl-1H-1,2,3-triazol-1-yl)-2-(4-(2-([
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Mol. Formula:
C34H36N6O2S
M.W.:
592.77
Type:
Unknown
AlogP:
6.59
Polar Surface Area:
85.17
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4848544 Name:
1-(2-(2-(4-(2-([1,1'-Biphenyl]-4-yl)ethyl)thiazol-
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Mol. Formula:
C36H38F3N7O4S
M.W.:
721.81
Type:
Unknown
AlogP:
5.53
Polar Surface Area:
111.19
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4848230 Name:
4-(1-(3-Methoxy-4-(4-phenethylthiazol-2-yl)phenyl)
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Mol. Formula:
C26H28F3N5O3S
M.W.:
547.60
Type:
Unknown
AlogP:
4.47
Polar Surface Area:
78.85
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5282364 Name:
3-(2-(5-(5-(((2-aminoethyl)amino)methyl)-1H-imidaz
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Mol. Formula:
C32H35N7O2S
M.W.:
581.75
Type:
---
AlogP:
3.75
Polar Surface Area:
110.33
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5281063 Name:
4-(4-aminobutyl)-3-methyl-1-(3-(2-(2-oxoimidazolid
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Mol. Formula:
C42H41F6N7O8S2
M.W.:
949.95
Type:
---
AlogP:
6.63
Polar Surface Area:
111.41
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5280860 Name:
4-(4-aminobutyl)-1-(4-(4-(2-(2,3-dihydrobenzofuran
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Mol. Formula:
C34H39F6N7O8S2
M.W.:
851.85
Type:
---
AlogP:
3.44
Polar Surface Area:
111.41
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5279478 Name:
1-(4-(4-(2-([1,1'-biphenyl]-4-yl)ethyl)thiazol-2-y
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Mol. Formula:
C34H35F6N5O6S2
M.W.:
787.81
Type:
---
AlogP:
5.56
Polar Surface Area:
69.84
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5278754 Name:
4-(4-Ammoniobutyl)-1-(4-(4,5-diphenylthiazol-2-yl)
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Mol. Formula:
C36H37F6N7O7S2
M.W.:
857.86
Type:
---
AlogP:
4.84
Polar Surface Area:
102.18
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5278650 Name:
4-(4-ammoniobutyl)-1-(3-methoxy-4-(4-phenethylthia
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Mol. Formula:
C28H31F6N5O6S2
M.W.:
711.71
Type:
---
AlogP:
3.90
Polar Surface Area:
69.84
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4864964 Name:
1-(2-(5-(4-(4-Ammoniobutyl)-1H-1,2,3-triazol-1-yl)
Show More⌵
Mol. Formula:
C40H38F3N7O5S
M.W.:
785.85
Type:
Unknown
AlogP:
7.20
Polar Surface Area:
120.42
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
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