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ALA5265971 Name:
N1,N3-bis(4-carbamimidoylphenethyl)malonamide
Mol. Formula:
C21H26N6O2
M.W.:
394.48
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
0.66
Polar Surface Area:
157.94
HBA:
4
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5282514 Name:
N-(4-carbamimidoylbenzyl)-N,N'-bis(4-carbamimidoylphenethyl)methanetricarboShow More⌵
Mol. Formula:
C30H35N9O3
M.W.:
569.67
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
0.49
Polar Surface Area:
236.91
HBA:
6
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5279198 Name:
4,4'-((5-(4-(Aminomethyl)phenoxy)-1,3-phenylene)bis(oxy))dibenzimidamide
Mol. Formula:
C27H25N5O3
M.W.:
467.53
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.09
Polar Surface Area:
153.45
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5275339 Name:
4-(3,5-Bis(4-(aminomethyl)phenoxy)phenoxy)-benzimidamide
Mol. Formula:
C27H26N4O3
M.W.:
454.53
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.26
Polar Surface Area:
129.60
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5289898 Name:
((Benzene-1,3,5-triyltris(oxy))tris(benzene-4,1-diyl))trimethanamine
Mol. Formula:
C27H27N3O3
M.W.:
441.53
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.44
Polar Surface Area:
105.75
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5269464 Name:
4,4',4''-(Benzene-1,3,5-triyltris(oxy))tribenzimidamide
Mol. Formula:
C27H24N6O3
M.W.:
480.53
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.92
Polar Surface Area:
177.30
HBA:
6
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5198091 Name:
(S)-3-(3-(4-(3-tert-butylureido)piperidin-1-yl)-2-(4'-(methoxymethyl)biphenShow More⌵
Mol. Formula:
C34H44N6O5S
M.W.:
648.83
Type:
---
AlogP:
3.76
Polar Surface Area:
166.71
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5196327 Name:
(S)-3-(2-(3-(6-aminopyridin-3-yl)phenylsulfonamido)-3-(4-(3-tert-butylureidShow More⌵
Mol. Formula:
C31H40N8O4S
M.W.:
620.78
Type:
---
AlogP:
2.59
Polar Surface Area:
196.39
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5205860 Name:
(S)-tert-butyl 4-(3-(3-carbamimidoylphenyl)-2-(2',4'-dimethoxybiphenyl-3-ylShow More⌵
Mol. Formula:
C33H41N5O7S
M.W.:
651.79
Type:
---
AlogP:
3.62
Polar Surface Area:
164.35
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5204622 Name:
(S)-3-(2-(4'-(aminomethyl)biphenyl-3-ylsulfonamido)-3-(4-(3-tert-butylureidShow More⌵
Mol. Formula:
C33H43N7O4S
M.W.:
633.82
Type:
---
AlogP:
3.07
Polar Surface Area:
183.50
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5204462 Name:
(S)-3-(2-(2',4'-dimethoxybiphenyl-3-ylsulfonamido)-3-(4-(3-isopropylureido)Show More⌵
Mol. Formula:
C33H42N6O6S
M.W.:
650.80
Type:
---
AlogP:
3.24
Polar Surface Area:
175.94
HBA:
7
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5204191 Name:
(S)-3-(3-(4-(3-tert-butylureido)piperidin-1-yl)-2-(4'-methylbiphenyl-3-ylsuShow More⌵
Mol. Formula:
C33H42N6O4S
M.W.:
618.80
Type:
---
AlogP:
3.92
Polar Surface Area:
157.48
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5201137 Name:
(S)-3-(2-(2',4'-dimethoxybiphenyl-3-ylsulfonamido)-3-(4-(3-methylureido)pipShow More⌵
Mol. Formula:
C31H38N6O6S
M.W.:
622.75
Type:
---
AlogP:
2.46
Polar Surface Area:
175.94
HBA:
7
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5208647 Name:
(S)-N-tert-butyl-4-(3-(3-carbamimidoylphenyl)-2-(2',4'-dimethoxybiphenyl-3-Show More⌵
Mol. Formula:
C33H42N6O6S
M.W.:
650.80
Type:
---
AlogP:
3.20
Polar Surface Area:
167.15
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5207279 Name:
(S)-3'-(N-(1-(4-(3-tert-butylureido)piperidin-1-yl)-3-(3-carbamimidoylphenyShow More⌵
Mol. Formula:
C33H42N8O4S
M.W.:
646.82
Type:
---
AlogP:
2.90
Polar Surface Area:
207.35
HBA:
6
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5206845 Name:
(S)-3-(3-(4-(3-tert-butylureido)piperidin-1-yl)-2-(3'-fluoro-4'-(hydroxymetShow More⌵
Mol. Formula:
C33H41FN6O5S
M.W.:
652.79
Type:
---
AlogP:
3.25
Polar Surface Area:
177.71
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5195140 Name:
(S)-3-(3-(4-(3-tert-butylureido)piperidin-1-yl)-2-(4'-(hydroxymethyl)biphenShow More⌵
Mol. Formula:
C33H42N6O5S
M.W.:
634.80
Type:
---
AlogP:
3.11
Polar Surface Area:
177.71
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5195073 Name:
(S)-3-(3-(4-(3-tert-butylureido)piperidin-1-yl)-2-(3'-(hydroxymethyl)biphenShow More⌵
Mol. Formula:
C33H42N6O5S
M.W.:
634.80
Type:
---
AlogP:
3.11
Polar Surface Area:
177.71
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5193310 Name:
(S)-3-(2-(4'-(tert-butoxymethyl)biphenyl-3-ylsulfonamido)-3-(4-(3-tert-butyShow More⌵
Mol. Formula:
C37H50N6O5S
M.W.:
690.91
Type:
---
AlogP:
4.93
Polar Surface Area:
166.71
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5188015 Name:
(S)-3-(3-(4-(3-tert-butylureido)piperidin-1-yl)-2-(3',5'-difluoro-4'-(hydroShow More⌵
Mol. Formula:
C33H40F2N6O5S
M.W.:
670.78
Type:
---
AlogP:
3.39
Polar Surface Area:
177.71
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
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