ALA2372761Name:
Pro-His-Pro-Phe-His-Statine-Tyr-Tyr-Ser-Lys-NH2Mol. Formula:
C66H90N16O14M.W.:
1331.54Type:
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:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
4.87Polar Surface Area:
266.96HBA:
10HBD:
9#RO5 Violations:
2#Rotatable Bonds:
27Passes Ro3:
NQED Weighted:
0.05DETAILS
Type:
Small moleculeAlogP:
-3.14Polar Surface Area:
368.08HBA:
14HBD:
13#RO5 Violations:
3#Rotatable Bonds:
26Passes Ro3:
NQED Weighted:
0.04DETAILS-
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA263257
Name:
N-[(D-Glucosylamino)carbonyl]-Pro-Phe-N(Me) His-Leu[CHOHCH2]vAL-Ile-AmpOMol. Formula:
C52H77N9O13M.W.:
1036.24Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
2.30Polar Surface Area:
261.00HBA:
14HBD:
7#RO5 Violations:
3#Rotatable Bonds:
25Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
1.19Polar Surface Area:
291.54HBA:
12HBD:
10#RO5 Violations:
3#Rotatable Bonds:
27Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
Small moleculeAlogP:
5.13Polar Surface Area:
225.25HBA:
11HBD:
5#RO5 Violations:
3#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
1.62Polar Surface Area:
288.74HBA:
13HBD:
9#RO5 Violations:
3#Rotatable Bonds:
27Passes Ro3:
NQED Weighted:
0.05DETAILS - ALA414795
Name:
N-[(D-Glucosylamino)carbonyl]-Pro-Phe-N(Me) His-Leu[CHOHCH2]vAL-Ile-AMPMol. Formula:
C52H78N10O12M.W.:
1035.25Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA177904
Name:
Boc-Pro-Phe-N(Me) His-Leu[CHOHCH2]Val-Ile-THAM AmideMol. Formula:
C48H78N8O11M.W.:
943.20Type:
Small moleculeAlogP:
1.82Polar Surface Area:
275.85HBA:
12HBD:
9#RO5 Violations:
3#Rotatable Bonds:
25Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
4.70Polar Surface Area:
228.05HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
2.62Polar Surface Area:
258.23HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
26Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
267.46HBA:
10HBD:
8#RO5 Violations:
2#Rotatable Bonds:
27Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
2.96Polar Surface Area:
258.23HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
25Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
0.99Polar Surface Area:
315.59HBA:
11HBD:
10#RO5 Violations:
3#Rotatable Bonds:
26Passes Ro3:
NQED Weighted:
0.05DETAILS
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