Type:
Small moleculeAlogP:
-0.87Polar Surface Area:
96.22HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
Small moleculeAlogP:
1.12Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.57DETAILS
Type:
Small moleculeAlogP:
0.09Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
0.18Polar Surface Area:
74.60HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
Small moleculeAlogP:
1.97Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.75DETAILS-
Type:
Small moleculeAlogP:
-0.75Polar Surface Area:
111.90HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS - DL-2-Hydroxybutyric Acid (contains Polymolecular esterification product)
Name:
2-Hydroxy-butyric acid anionMol. Formula:
C4H8O3M.W.:
104.11Type:
Small moleculeAlogP:
-0.16Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
0.51Polar Surface Area:
66.76HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS
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