Compounds

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Gaboxadol
Name:
4,5,6,7-Tetrahydro-isoxazolo[5,4-c]pyridin-3-ol
Mol. Formula:
C6H8N2O2
M.W.:
140.14
62 activity values
28 unique targets
Type:
Small molecule
AlogP:
0.03
Polar Surface Area:
58.29
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.53
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TACA
Name:
(E)-4-Amino-but-2-enoic acid (TACA)
Mol. Formula:
C4H7NO2
M.W.:
101.11
27 activity values
13 unique targets
Type:
Small molecule
AlogP:
-0.41
Polar Surface Area:
63.32
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
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[³H]gabazine
Name:
4-[6-Imino-3-(4-methoxy-phenyl)-6H-pyridazin-1-yl]-butyric acid (gabazine oShow More⌵
Mol. Formula:
C15H17N3O3
M.W.:
287.32
57 activity values
21 unique targets
Type:
Small molecule
AlogP:
1.90
Polar Surface Area:
88.20
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.85
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piperidine-4-sulphonic acid
Name:
Piperidine-4-sulfonic acid (P4S)
Mol. Formula:
C5H11NO3S
M.W.:
165.21
34 activity values
22 unique targets
Type:
Small molecule
AlogP:
-0.37
Polar Surface Area:
66.40
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.52
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Isonipecotic acid
Name:
Piperidine-4-carboxylic acid
Mol. Formula:
C6H11NO2
M.W.:
129.16
73 activity values
37 unique targets
Type:
Small molecule
AlogP:
0.07
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.53
DETAILS
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