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ALA5285523 Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S
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Mol. Formula:
C195H288N52O56
M.W.:
4256.76
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5277749 Name:
(4S)-4-[({[(1S)-1-{[(1S)-1-[({[(5S)-5-[(2S)-2-[(2S
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Mol. Formula:
C237H341N65O63
M.W.:
5108.73
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5288617 Name:
Dimethyl 4-(3-(2-cyano-3-(3-(4-(3-methoxyphenyl)pi
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Mol. Formula:
C33H40N6O5
M.W.:
600.72
Type:
---
AlogP:
3.99
Polar Surface Area:
137.31
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5288434 Name:
Dimethyl 4-(3-((5-((4-(3-methoxyphenyl)piperidin-1
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Mol. Formula:
C31H35N5O6
M.W.:
573.65
Type:
---
AlogP:
4.39
Polar Surface Area:
128.05
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4789673 Name:
(R)-Nalpha-Diphenylacetyl-Nomega-(3-bromopropanoyl
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Mol. Formula:
C35H41BrF3N7O7
M.W.:
808.65
Type:
Unknown
AlogP:
2.62
Polar Surface Area:
187.04
HBA:
5
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5282574 Name:
Dimethyl 4-(3-((2-((3-(4-(3-methoxyphenyl)piperidi
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Mol. Formula:
C35H40N4O7
M.W.:
628.73
Type:
---
AlogP:
3.91
Polar Surface Area:
135.30
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA1603366 Name:
SID17432103
Mol. Formula:
C17H18N2O2S
M.W.:
314.41
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
42.85
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA1600727 Name:
SID3716518
Mol. Formula:
C16H11N3OS3
M.W.:
357.49
Type:
Small molecule
AlogP:
5.21
Polar Surface Area:
51.81
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA1599610 Name:
SID17406965
Mol. Formula:
C16H11ClN2O
M.W.:
282.73
Type:
Small molecule
AlogP:
4.11
Polar Surface Area:
45.75
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4756494 Name:
(R)-Nalpha-Diphenylacetyl-Nomega-(2,2-dimethylprop
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Mol. Formula:
C37H46F3N7O7
M.W.:
757.81
Type:
Unknown
AlogP:
2.88
Polar Surface Area:
187.04
HBA:
5
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4755692 Name:
(R)-Nalpha-Diphenylacetyl-Nomega-(2-methylpropiony
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Mol. Formula:
C36H44F3N7O7
M.W.:
743.78
Type:
Unknown
AlogP:
2.49
Polar Surface Area:
187.04
HBA:
5
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4765023 Name:
(R)-Nalpha-Diphenylacetyl-Nomega-(phenylacetylamin
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Mol. Formula:
C40H44F3N7O7
M.W.:
791.83
Type:
Unknown
AlogP:
3.08
Polar Surface Area:
187.04
HBA:
5
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5273099 Name:
(4S)-4-[({[(1S)-1-{[(1S)-1-[({[(5S)-5-[(2S)-2-[(2S
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Mol. Formula:
C276H387N77O71
M.W.:
5919.60
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5271764 Name:
Neuropeptide Y
Mol. Formula:
C191H287N53O58
M.W.:
4253.71
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5271459 Name:
(4S)-4-{[(5S)-5-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(
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Mol. Formula:
C238H335N69O63
M.W.:
5170.72
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5270985 Name:
(4S,7S,10S,13S,16S,19S,22S,25S,32S)-25-((6S,9S,12S
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Mol. Formula:
C218H315N61O59
M.W.:
4734.29
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4755079 Name:
(R)-Nalpha-Diphenylacetyl-Nomega-(cyclopentoylamin
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Mol. Formula:
C38H46F3N7O7
M.W.:
769.82
Type:
Unknown
AlogP:
3.03
Polar Surface Area:
187.04
HBA:
5
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4753520 Name:
(R)-Nalpha-Diphenylacetyl-Nomega-(acrylaminoethyl)
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Mol. Formula:
C35H40F3N7O7
M.W.:
727.74
Type:
Unknown
AlogP:
2.02
Polar Surface Area:
187.04
HBA:
5
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4752935 Name:
(R)-Nalpha-Diphenylacetyl-Nomega-(glycinylaminoeth
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Mol. Formula:
C34H41F3N8O7
M.W.:
730.74
Type:
Unknown
AlogP:
0.79
Polar Surface Area:
213.06
HBA:
6
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4752392 Name:
(R)-Nalpha-Diphenylacetyl-Nomega-(propionylaminopr
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Mol. Formula:
C36H44F3N7O7
M.W.:
743.78
Type:
Unknown
AlogP:
2.64
Polar Surface Area:
187.04
HBA:
5
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
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