Type:
---AlogP:
-0.68Polar Surface Area:
158.49HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
Small moleculeAlogP:
0.04Polar Surface Area:
118.72HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA2372592Name:
2-{[2-(acetylamino)propanoyl]amino}propanoateCas Number:
19245-87-5Mol. Formula:
C8H14N2O4M.W.:
202.21Type:
Small moleculeAlogP:
-0.90Polar Surface Area:
95.50HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
0.89Polar Surface Area:
104.73HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.72DETAILS
Type:
Small moleculeAlogP:
-0.75Polar Surface Area:
120.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS- ALA2371842
Name:
5-ammonio-2-[(2-ammoniopropanoyl)amino]pentanoateCas Number:
643755-41-3Mol. Formula:
C8H17N3O3M.W.:
203.24Type:
Small moleculeAlogP:
-1.36Polar Surface Area:
118.44HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
ProteinAlogP:
0.87Polar Surface Area:
132.96HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA2371838
Name:
2-[(2-ammonio-3-phenylpropanoyl)amino]propanoateMol. Formula:
C12H16N2O3M.W.:
236.27Type:
Small moleculeAlogP:
0.15Polar Surface Area:
92.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
ProteinAlogP:
-0.35Polar Surface Area:
121.52HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
1.98Polar Surface Area:
78.43HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA2371160
Name:
2-[(2-ammoniopropanoyl)amino]-2-methylpropanoateMol. Formula:
C7H14N2O3M.W.:
174.20Type:
Small moleculeAlogP:
-0.69Polar Surface Area:
92.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
0.10Polar Surface Area:
83.63HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2371158
Name:
1-(2-ammoniohexanoyl)pyrrolidine-2-carboxylateMol. Formula:
C11H20N2O3M.W.:
228.29Type:
Small moleculeAlogP:
0.58Polar Surface Area:
83.63HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
-1.12Polar Surface Area:
83.63HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
0.63Polar Surface Area:
108.21HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
1.11Polar Surface Area:
99.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
0.09Polar Surface Area:
92.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
-1.62Polar Surface Area:
103.86HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
1.74Polar Surface Area:
92.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA2371151
Name:
2-{[2-(methylammonio)propanoyl]amino}propanoateCas Number:
61370-50-1Mol. Formula:
C7H14N2O3M.W.:
174.20Type:
Small moleculeAlogP:
-0.82Polar Surface Area:
78.43HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS
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