Compounds

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ALA1087295
Name:
papilistatin
Mol. Formula:
C18H12O7
M.W.:
340.29
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
3.13
Polar Surface Area:
102.29
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA506921
Name:
Quinidium Pancratistatin 4-O-Phosphate
Mol. Formula:
C34H40N3O13P
M.W.:
729.68
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA449075
Name:
Quinium Pancratistatin 4-O-Phosphate
Mol. Formula:
C34H40N3O13P
M.W.:
729.68
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA476917
Name:
Imidazolium Pancratistatin 4-O-Phosphate
Mol. Formula:
C17H20N3O11P
M.W.:
473.33
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
-2.11
Polar Surface Area:
195.24
HBA:
9
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA476916
Name:
Morpholinium Pancratistatin 4-O-Phosphate
Mol. Formula:
C18H25N2O12P
M.W.:
492.37
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA470765
Name:
Zinc Pancratistatin 4-O-Phosphate
Mol. Formula:
C14H14NO11PZn
M.W.:
468.63
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
-2.11
Polar Surface Area:
195.24
HBA:
9
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA472228
Name:
Piperazinium Pancratistatin 4-O-Phosphate
Mol. Formula:
C18H26N3O11P
M.W.:
491.39
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
-2.11
Polar Surface Area:
195.24
HBA:
9
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE