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ALA1077192 Name:
(S)-3-(4-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2
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Mol. Formula:
C36H45F3N4O10S
M.W.:
782.83
Type:
Small molecule
AlogP:
4.08
Polar Surface Area:
183.64
HBA:
11
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA1077191 Name:
(S)-3-(3-(20-amino-3,6,9,12,15,18-hexaoxaicosanami
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Mol. Formula:
C41H56F3N5O12S
M.W.:
899.98
Type:
Small molecule
AlogP:
3.44
Polar Surface Area:
228.12
HBA:
14
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
31
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4548360 Name:
(S)-3-{2-[(3R,5S)-1-Cyclopentylcarbamoyl-5-(pyridi
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Mol. Formula:
C30H42N6O7S
M.W.:
630.77
Type:
Unknown
AlogP:
2.08
Polar Surface Area:
179.06
HBA:
8
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4550545 Name:
(2S,4R)-4-{[(S)-2-Carboxy-2-(2,4,6-trimethyl-benze
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Mol. Formula:
C31H38N6O8S
M.W.:
654.75
Type:
Unknown
AlogP:
2.16
Polar Surface Area:
189.15
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4549788 Name:
5-{[(2S,4R)-4-{[(S)-2-Carboxy-2-(2,4,6-trimethyl-b
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Mol. Formula:
C45H44N6O11S2
M.W.:
909.01
Type:
Unknown
AlogP:
5.11
Polar Surface Area:
249.73
HBA:
12
HBD:
7
#RO5 Violations:
4
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA4549085 Name:
(2S,4R)-4-{[(S)-2-Carboxy-2-(2-chloro-benzoylamino
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Mol. Formula:
C30H32ClN5O7
M.W.:
610.07
Type:
Unknown
AlogP:
2.94
Polar Surface Area:
159.19
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4756602 Name:
(S)-3-(2-(3-guanidinobenzoyl)hydrazinecarboxamido)
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Mol. Formula:
C23H28N8O7S
M.W.:
560.59
Type:
Unknown
AlogP:
-0.64
Polar Surface Area:
235.91
HBA:
7
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4756339 Name:
(2S)-3-[[2-[[3-[[2-(adamantane-1-carbonylamino)ace
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Mol. Formula:
C37H47N9O9S
M.W.:
793.90
Type:
Unknown
AlogP:
0.53
Polar Surface Area:
282.08
HBA:
9
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4524794 Name:
(2S,4R)-4-{[(S)-2-Carboxy-2-(2,2-dimethyl-butyryla
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Mol. Formula:
C29H39N5O7
M.W.:
569.66
Type:
Unknown
AlogP:
2.41
Polar Surface Area:
159.19
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5276220 Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2
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Mol. Formula:
C37H62N6O7
M.W.:
702.94
Type:
---
AlogP:
2.52
Polar Surface Area:
208.82
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4750706 Name:
(S)-3-(2-(3-(4-aminobutanamido)-5-guanidinobenzami
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Mol. Formula:
C28H37N9O8S
M.W.:
659.73
Type:
Unknown
AlogP:
-1.06
Polar Surface Area:
279.00
HBA:
9
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4794201 Name:
(2S)-3-[[2-[[3-[5-(adamantane-1-carbonylamino)pent
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Mol. Formula:
C40H53N9O9S
M.W.:
835.98
Type:
Unknown
AlogP:
1.70
Polar Surface Area:
282.08
HBA:
9
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4556772 Name:
(2S,4R)-4-{[(S)-2-Carboxy-2-(4-phenyl-butyrylamino
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Mol. Formula:
C33H39N5O7
M.W.:
617.70
Type:
Unknown
AlogP:
3.00
Polar Surface Area:
159.19
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4798438 Name:
(S)-3-(2-(3-guanidinobenzamido)acetamido)-2-((S)-1
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Mol. Formula:
C24H29N7O7S
M.W.:
559.61
Type:
Unknown
AlogP:
-0.74
Polar Surface Area:
223.88
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4555420 Name:
(2S,4R)-4-[((S)-2-Carboxy-2-methanesulfonylamino-e
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Mol. Formula:
C24H31N5O8S
M.W.:
549.61
Type:
Unknown
AlogP:
0.41
Polar Surface Area:
176.26
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4555363 Name:
(2S,4R)-4-[((S)-1-Carboxymethyl-2-p-tolyl-ethylcar
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Mol. Formula:
C31H36N4O6
M.W.:
560.65
Type:
Unknown
AlogP:
3.80
Polar Surface Area:
130.09
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4764427 Name:
(S)-3-(3-(4-guanidinobutyl)ureido)-2-((S)-1-(pheny
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Mol. Formula:
C20H31N7O6S
M.W.:
497.58
Type:
Unknown
AlogP:
-1.03
Polar Surface Area:
206.81
HBA:
6
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4778229 Name:
(2S)-3-[[2-[[3-[4-(adamantane-1-carbonylamino)buta
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Mol. Formula:
C39H51N9O9S
M.W.:
821.96
Type:
Unknown
AlogP:
1.31
Polar Surface Area:
282.08
HBA:
9
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4758256 Name:
(S)-3-(3-(5-guanidinopentyl)ureido)-2-((S)-1-(phen
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Mol. Formula:
C21H33N7O6S
M.W.:
511.61
Type:
Unknown
AlogP:
-0.64
Polar Surface Area:
206.81
HBA:
6
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4537764 Name:
(2S,4R)-4-{[(S)-2-Carboxy-2-(2,6-dimethyl-benzoyla
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Mol. Formula:
C32H37N5O7
M.W.:
603.68
Type:
Unknown
AlogP:
2.91
Polar Surface Area:
159.19
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
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