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ALA5287718 Name:
benzo[c][1,2,5]thiadiazole-4-carboxylic acid
Mol. Formula:
C7H4N2O2S
M.W.:
180.19
Type:
---
AlogP:
1.39
Polar Surface Area:
63.08
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5287311 Name:
N-(4-ethylphenyl)-2-(6-(2-(5-phenyl-4H-1,2,4-triaz
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Mol. Formula:
C27H24N6O2S3
M.W.:
560.73
Type:
---
AlogP:
6.11
Polar Surface Area:
112.66
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5282745 Name:
benzyl ((2S)-6-amino-1-(((2S)-1-((1-(diphenoxyphos
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Mol. Formula:
C41H53N10O7P
M.W.:
828.91
Type:
---
AlogP:
4.50
Polar Surface Area:
281.88
HBA:
10
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA5290934 Name:
4-bromo-1-oxo-N-(3-phenoxyphenyl)-1,2-dihydroisoqu
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Mol. Formula:
C22H15BrN2O3
M.W.:
435.28
Type:
---
AlogP:
5.34
Polar Surface Area:
71.19
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5276951 Name:
3-(benzylthio)-6-(4-chlorophenyl)-10-methyl-1-oxo-
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Mol. Formula:
C24H19ClN4OS
M.W.:
446.96
Type:
---
AlogP:
4.58
Polar Surface Area:
59.97
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5275144 Name:
N-((S)-6-amino-1-(((S)-5-guanidino-1-oxopentan-2-y
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Mol. Formula:
C16H28N8O3
M.W.:
380.45
Type:
---
AlogP:
-1.42
Polar Surface Area:
191.87
HBA:
6
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5269219 Name:
3,3'-(2,5-dichloro-1,4-phenylene)bis(oxy)bis(methy
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Mol. Formula:
C28H20Cl2N8O2S2
M.W.:
635.56
Type:
---
AlogP:
6.33
Polar Surface Area:
104.62
HBA:
12
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5267698 Name:
1-((3S,6S,19S)-3,6-bis(4-aminobutyl)-2,5,8,12,15,1
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Mol. Formula:
C26H49N11O6
M.W.:
611.75
Type:
---
AlogP:
-3.90
Polar Surface Area:
288.54
HBA:
9
HBD:
11
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5094815 Name:
N2-((4-[4-mercapto)butoxy]-phenyl)-acetyl)-L-lysyl
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Mol. Formula:
C32H56N8O4S
M.W.:
648.92
Type:
Unknown
AlogP:
1.70
Polar Surface Area:
210.47
HBA:
8
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4644607 Name:
2-(dimethylamino)-8-[2-methyl-6-(4-piperidyl)pyrim
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Mol. Formula:
C19H29N7O
M.W.:
371.49
Type:
Unknown
AlogP:
0.64
Polar Surface Area:
85.75
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4587076 Name:
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-
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Mol. Formula:
C40H61N15O7
M.W.:
864.03
Type:
Unknown
AlogP:
-3.02
Polar Surface Area:
386.33
HBA:
12
HBD:
14
#RO5 Violations:
3
#Rotatable Bonds:
28
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA4457231 Name:
N-((2S)-6-amino-1-(5-guanidino-1-oxopentan-2-ylami
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Mol. Formula:
C16H28N8O3
M.W.:
380.45
Type:
Unknown
AlogP:
-1.42
Polar Surface Area:
191.87
HBA:
6
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA3344321 Name:
(S)-6-amino-N-((S)-6-amino-1-(((trans)-4-guanidino
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Mol. Formula:
C28H46Cl2N8O3
M.W.:
613.64
Type:
Small molecule
AlogP:
1.92
Polar Surface Area:
201.24
HBA:
6
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA3344320 Name:
3-((3S,6R,8S,11R,13R,16S,19S,22R,25R,30aS)-8-(2-am
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Mol. Formula:
C65H85N11O13
M.W.:
1228.46
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3344319 Name:
4-(4-chlorobenzoyl)-5-(4-chlorophenyl)-3-hydroxy-1
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Mol. Formula:
C22H17Cl2N3O3S2
M.W.:
506.44
Type:
Small molecule
AlogP:
6.13
Polar Surface Area:
83.39
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA3344318 Name:
3-(benzylthio)-6-(4-chlorophenyl)-10-methyl-1-oxo-
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Mol. Formula:
C24H20ClN4OS+
M.W.:
447.97
Type:
Small molecule
AlogP:
4.95
Polar Surface Area:
61.66
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA3344317 Name:
N-(4-ethylphenyl)-2-(6-(2-(4-methyl-5-phenyl-4H-1,
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Mol. Formula:
C28H26N6O2S3
M.W.:
574.76
Type:
Small molecule
AlogP:
6.12
Polar Surface Area:
101.80
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3344316 Name:
7-((3-(benzyloxy)phenyl)(thiazol-2-ylamino)methyl)
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Mol. Formula:
C26H21N3O2S
M.W.:
439.54
Type:
Small molecule
AlogP:
6.18
Polar Surface Area:
67.27
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3344314 Name:
(3S,6S,9S)-14-amino-3,6-bis(4-aminobutyl)-1-cyclop
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Mol. Formula:
C22H42N8O5
M.W.:
498.63
Type:
Small molecule
AlogP:
-1.54
Polar Surface Area:
238.54
HBA:
7
HBD:
9
#RO5 Violations:
1
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA3344313 Name:
(3S,6S,9S)-14-amino-3,6-bis(4-aminobutyl)-14-imino
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Mol. Formula:
C25H42N8O5
M.W.:
534.66
Type:
Small molecule
AlogP:
-0.64
Polar Surface Area:
238.54
HBA:
7
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
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