Type:
---AlogP:
-0.68Polar Surface Area:
158.49HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
0.42Polar Surface Area:
214.84HBA:
11HBD:
8#RO5 Violations:
3#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.07DETAILS
Type:
Small moleculeAlogP:
3.32Polar Surface Area:
42.35HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
Small moleculeAlogP:
12.66Polar Surface Area:
239.75HBA:
14HBD:
3#RO5 Violations:
3#Rotatable Bonds:
43Passes Ro3:
NQED Weighted:
0.01DETAILS-
Type:
Small moleculeAlogP:
3.09Polar Surface Area:
83.83HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
3.61Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
1.65Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.62DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
-0.77Polar Surface Area:
356.82HBA:
16HBD:
12#RO5 Violations:
3#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
3.82Polar Surface Area:
193.25HBA:
13HBD:
---#RO5 Violations:
2#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
ProteinAlogP:
-1.06Polar Surface Area:
304.02HBA:
10HBD:
10#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
-3.11Polar Surface Area:
271.39HBA:
11HBD:
10#RO5 Violations:
3#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA2369945
Name:
BQ-587 (cyclo(D-Trp-D-Asp-L-Hyp(N(_),N(_)-dimethyl-L-Lys)-D-Val-L-Leu)Mol. Formula:
C39H58N8O9M.W.:
782.94Type:
ProteinAlogP:
0.41Polar Surface Area:
245.36HBA:
10HBD:
7#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
4.21Polar Surface Area:
111.01HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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