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ALA4871119 Name:
Gelsemicine
Mol. Formula:
C20H26N2O4
M.W.:
358.44
Type:
Unknown
AlogP:
2.02
Polar Surface Area:
60.03
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA5287089 Name:
3,4-dimethyl-7-(3-(4-((((3R,5aS,6R,8aS,9R,10S,12R,
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Mol. Formula:
C32H41N3O8
M.W.:
595.69
Type:
---
AlogP:
5.20
Polar Surface Area:
116.30
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5287019 Name:
2-((2S)-2-(3-amino-2-(2,3-diaminopropanamido)propa
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Mol. Formula:
C63H76N18O9
M.W.:
1229.42
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5286686 Name:
3,4-dimethyl-8-((1-(3-(((3R,5aS,6R,8aS,9R,10R,12R,
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Mol. Formula:
C32H41N3O8
M.W.:
595.69
Type:
---
AlogP:
5.20
Polar Surface Area:
116.30
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5286188 Name:
3-chloro-4-methyl-8-((1-(2-(((3R,5aS,6R,8aS,9R,10R
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Mol. Formula:
C30H36ClN3O8
M.W.:
602.08
Type:
---
AlogP:
5.15
Polar Surface Area:
116.30
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5285620 Name:
4-methyl-7-(3-(4-((((3R,5aS,6R,8aS,9R,10S,12R,12aR
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Mol. Formula:
C31H39N3O8
M.W.:
581.67
Type:
---
AlogP:
4.89
Polar Surface Area:
116.30
HBA:
11
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5285223 Name:
4-methyl-7-(2-(4-((((3R,5aS,6R,8aS,9R,10S,12R,12aR
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Mol. Formula:
C30H37N3O8
M.W.:
567.64
Type:
---
AlogP:
4.50
Polar Surface Area:
116.30
HBA:
11
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5285096 Name:
3-chloro-4-methyl-7-(3-(4-((((3R,5aS,6R,8aS,9R,10S
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Mol. Formula:
C31H38ClN3O8
M.W.:
616.11
Type:
---
AlogP:
5.54
Polar Surface Area:
116.30
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5283068 Name:
(2S)-6-amino-N-((2S)-6-amino-1-((2S)-1-(1-((S)-1,6
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Mol. Formula:
C55H72N12O6
M.W.:
997.26
Type:
---
AlogP:
2.89
Polar Surface Area:
324.25
HBA:
10
HBD:
12
#RO5 Violations:
2
#Rotatable Bonds:
30
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA5281910 Name:
3,3'-(piperazine-1,4-diyl)bis(N-(4-chlorobenzyl)pr
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Mol. Formula:
C24H34Cl2N4
M.W.:
449.47
Type:
---
AlogP:
4.27
Polar Surface Area:
30.54
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5281642 Name:
(S)-2,6-diamino-N-((5S,8S,11S,14S,17S,20S,23S,26S)
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Mol. Formula:
C74H103N19O9
M.W.:
1402.76
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5279489 Name:
(2S)-2-((2S,8S,11S,14S)-8-((1H-indol-3-yl)methyl)-
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Mol. Formula:
C80H106N18O9
M.W.:
1463.84
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5279347 Name:
Hexyl (2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1(2H)-y
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Mol. Formula:
C23H38N8O5
M.W.:
506.61
Type:
---
AlogP:
-0.18
Polar Surface Area:
204.67
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5278547 Name:
(2S)-2,6-diamino-N-((5S,8S,14S,17S,20S,23S,26S)-8,
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Mol. Formula:
C78H106N18O9
M.W.:
1439.82
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5278524 Name:
ethyl 2-oxo-8-((1-(2-(((3R,5aS,6R,8aS,9R,10R,12R,1
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Mol. Formula:
C32H39N3O10
M.W.:
625.68
Type:
---
AlogP:
4.36
Polar Surface Area:
142.60
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5277843 Name:
4-(trifluoromethyl)-8-((1-(3-(((3R,5aS,6R,8aS,9R,1
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Mol. Formula:
C31H36F3N3O8
M.W.:
635.64
Type:
---
AlogP:
5.60
Polar Surface Area:
116.30
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5277829 Name:
ethyl 2-oxo-7-(3-(4-((((3R,5aS,6R,8aS,9R,10S,12R,1
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Mol. Formula:
C33H41N3O10
M.W.:
639.70
Type:
---
AlogP:
4.75
Polar Surface Area:
142.60
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4866349 Name:
Gelsedine
Mol. Formula:
C19H24N2O3
M.W.:
328.41
Type:
Unknown
AlogP:
2.01
Polar Surface Area:
50.80
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA4864504 Name:
Rac-4-iodo-N-(4-(2,4-dichlorophenyl)-1-(4-methoxyp
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Mol. Formula:
C22H17Cl2IN2O
M.W.:
523.20
Type:
Unknown
AlogP:
7.29
Polar Surface Area:
24.83
HBA:
2
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4864325 Name:
Rac-N-(1-(4-(benzyloxy)phenyl)-4-(2,4-dichlorophen
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Mol. Formula:
C28H21Cl2IN2O
M.W.:
599.30
Type:
Unknown
AlogP:
8.86
Polar Surface Area:
24.83
HBA:
2
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
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