- ALA5271585
Name:
Mol. Formula:
C26H26FN7O3SM.W.:
535.61/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.35Polar Surface Area:
103.91HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA5270202
Name:
Mol. Formula:
C30H35FN8O4SM.W.:
622.73/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.36Polar Surface Area:
105.52HBA:
13HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA5275142
Name:
Mol. Formula:
C29H28FN7O5SM.W.:
605.65/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.25Polar Surface Area:
124.78HBA:
13HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA5274532
Name:
Mol. Formula:
C24H23FN6O4M.W.:
478.48/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.56Polar Surface Area:
121.87HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA5272852
Name:
Mol. Formula:
C27H28FN7O4SM.W.:
565.63/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.36Polar Surface Area:
113.14HBA:
11HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA5285834
Name:
Mol. Formula:
C27H28FN7O4SM.W.:
565.63/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.36Polar Surface Area:
113.14HBA:
11HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA5291388
Name:
Mol. Formula:
C30H35FN8O4SM.W.:
622.73/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.36Polar Surface Area:
105.52HBA:
13HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA5291239
Name:
Mol. Formula:
C30H31FIN7O5SM.W.:
747.59/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.39Polar Surface Area:
121.54HBA:
12HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA5291154
Name:
Mol. Formula:
C19H20FN5O3SM.W.:
417.47/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.18Polar Surface Area:
76.63HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA5289540
Name:
Show More⌵Mol. Formula:
C49H72BrClN4O10M.W.:
992.49/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
7.88Polar Surface Area:
120.46HBA:
13HBD:
1#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA5265773
Name:
Mol. Formula:
C29H33FN8O3SM.W.:
592.70/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.35Polar Surface Area:
96.29HBA:
12HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS Type:
---AlogP:
-4.25Polar Surface Area:
343.58HBA:
13HBD:
12#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.13DETAILSType:
---AlogP:
-4.25Polar Surface Area:
343.58HBA:
13HBD:
12#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.13DETAILSType:
---AlogP:
-4.25Polar Surface Area:
343.58HBA:
13HBD:
12#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.12DETAILSType:
---AlogP:
-4.50Polar Surface Area:
343.58HBA:
13HBD:
12#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.13DETAILS- ALA5200642
Name:
Diethylala6,(2R,3S)-beta-Methyl-Cys8-DideoxyamanitinMol. Formula:
C41H58N10O12SM.W.:
915.04Type:
---AlogP:
-3.86Polar Surface Area:
343.58HBA:
13HBD:
12#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.12DETAILS Type:
---AlogP:
-4.55Polar Surface Area:
363.81HBA:
14HBD:
13#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.12DETAILSType:
---AlogP:
-3.86Polar Surface Area:
343.58HBA:
13HBD:
12#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.13DETAILS- ALA5194629
Name:
5-OH Trp4,(2R,3S)-beta-Methyl-Cys8-DeoxyamanitinMol. Formula:
C40H56N10O13SM.W.:
917.01Type:
---AlogP:
-4.55Polar Surface Area:
363.81HBA:
14HBD:
13#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.12DETAILS Type:
---AlogP:
-4.94Polar Surface Area:
343.58HBA:
14HBD:
12#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.12DETAILS