Type:
Small moleculeAlogP:
0.16Polar Surface Area:
319.23HBA:
16HBD:
9#RO5 Violations:
3#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.04DETAILS
ALA3706400Name:
6-(n-Butylthio)-9-[5' beta-D-ribofuranosyl]purine 5'-triphosphateMol. Formula:
C14H23N4O13P3SM.W.:
580.34Type:
Small moleculeAlogP:
0.68Polar Surface Area:
253.11HBA:
14HBD:
6#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.09DETAILS
Type:
Small moleculeAlogP:
-0.94Polar Surface Area:
279.13HBA:
15HBD:
7#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.15DETAILS
Type:
Small moleculeAlogP:
-1.24Polar Surface Area:
279.13HBA:
14HBD:
7#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.20DETAILS
Type:
Small moleculeAlogP:
-1.73Polar Surface Area:
342.45HBA:
17HBD:
9#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.09DETAILS-
Type:
Small moleculeAlogP:
-0.44Polar Surface Area:
72.55HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
0.34Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS - 4-Aminotetrahydropyran-4-carboxylic Acid
Name:
4-Amino-tetrahydro-pyran-4-carboxylic acidMol. Formula:
C6H11NO3M.W.:
145.16Type:
Small moleculeAlogP:
-0.42Polar Surface Area:
72.55HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA297167
Name:
(S)-3-Amino-tetrahydro-thiophene-3-carboxylic acidMol. Formula:
C5H9NO2SM.W.:
147.20Type:
Small moleculeAlogP:
-0.09Polar Surface Area:
63.32HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS - (3R)-3-aminooxolane-3-carboxylic acid
Name:
(R)-3-Amino-tetrahydro-furan-3-carboxylic acidMol. Formula:
C5H9NO3M.W.:
131.13Type:
Small moleculeAlogP:
-0.81Polar Surface Area:
72.55HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.49DETAILS - 4-aminothiane-4-carboxylic acid
Name:
4-Amino-tetrahydro-thiopyran-4-carboxylic acidMol. Formula:
C6H11NO2SM.W.:
161.23Type:
Small moleculeAlogP:
0.30Polar Surface Area:
63.32HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.58DETAILS
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