ALA1788357Name:
9H-Purine-2,6-diamine0.5M H2SO4Cas Number:
7280-83-3Mol. Formula:
C5H8N6O4SM.W.:
248.22Type:
Small moleculeAlogP:
-0.48Polar Surface Area:
106.50HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
0.70Polar Surface Area:
80.48HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
Small moleculeAlogP:
-0.18Polar Surface Area:
117.54HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
Small moleculeAlogP:
-2.03Polar Surface Area:
199.77HBA:
11HBD:
6#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
-3.06Polar Surface Area:
219.07HBA:
11HBD:
7#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS-
Type:
Small moleculeAlogP:
-2.38Polar Surface Area:
202.28HBA:
12HBD:
6#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
-3.07Polar Surface Area:
237.88HBA:
11HBD:
9#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
-2.88Polar Surface Area:
231.10HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
-1.64Polar Surface Area:
199.83HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
-2.59Polar Surface Area:
202.00HBA:
11HBD:
7#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
-2.61Polar Surface Area:
225.85HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
-0.54Polar Surface Area:
119.31HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
-0.53Polar Surface Area:
106.50HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA539503
Name:
9H-Purin-6-ylamine hydrochlorideCas Number:
2922-28-3Mol. Formula:
C5H6ClN5M.W.:
171.59Type:
Small moleculeAlogP:
-0.11Polar Surface Area:
80.48HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA555400
Name:
N*8*-Benzyl-9H-purine-6,8-diamine hydrochlorideMol. Formula:
C12H13ClN6M.W.:
276.73Type:
Small moleculeAlogP:
1.50Polar Surface Area:
92.51HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA407391
Name:
Dimethyl-(9H-purin-6-yl)-amineCas Number:
938-55-6Mol. Formula:
C7H9N5M.W.:
163.18Type:
Small moleculeAlogP:
0.42Polar Surface Area:
57.70HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
-0.36Polar Surface Area:
92.51HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA228862
Name:
Benzyl-(9H-purin-6-yl)-amineCas Number:
1214-39-7Mol. Formula:
C12H11N5M.W.:
225.25Type:
Small moleculeAlogP:
1.97Polar Surface Area:
66.49HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
-0.11Polar Surface Area:
80.48HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA388593
Name:
1H-Pyrazolo[3,4-d]pyrimidin-4-ylamineCas Number:
2380-63-4Mol. Formula:
C5H5N5M.W.:
135.13Type:
Small moleculeAlogP:
-0.06Polar Surface Area:
80.48HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.53DETAILS
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