ALA3350126Name:
d(CH2)5[Tyr(me)-Ile-Gln-Asn-D-Cys]-Pro-Orn-Gly-NH2Mol. Formula:
C48H74N12O12S2M.W.:
1075.33Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA3350121Name:
cyclo[Cys-Tyr-Phe-Gln-Asn-D-Cys]-Pro-Arg-Gly-NH2Mol. Formula:
C46H65N15O12S2M.W.:
1084.25Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA3350118Name:
d(CH2)5[Tyr(me)-Ile-Gln-Asn-Cys]-Pro-Orn-Gly-NH2Mol. Formula:
C48H74N12O12S2M.W.:
1075.33Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA3350116Name:
d(CH2)5[D-Tyr-Ile-Gln-Asn-L-Cys]-Pro-Arg-Gly-NH2Mol. Formula:
C50H75N15O11S2M.W.:
1126.38Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA3350115Name:
d(CH2)5[D-Tyr-Ile-Gln-Asn-D-Cys]-Pro-Arg-Gly-NH2Mol. Formula:
C50H75N15O11S2M.W.:
1126.38Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS- ALA3349469
Name:
d(CH2)5[Tyr(me)-Ile-Thr-Asn-Cys]-Pro-Orn-Tyr-NH2Mol. Formula:
C54H79N11O13S2M.W.:
1154.42Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
-0.25Polar Surface Area:
330.78HBA:
14HBD:
10#RO5 Violations:
3#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
-0.21Polar Surface Area:
332.99HBA:
14HBD:
10#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA3349465
Name:
d(CH2)5[Tyr(me)-Ile-Thr-Asn-D-Cys]-Pro-Orn-Tyr-NH2Mol. Formula:
C54H79N11O13S2M.W.:
1154.42Type:
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 - ALA3277916
Name:
[1-beta-mercaptopropionic acid,7-glycine]oxytocinMol. Formula:
C40H61N11O12S2M.W.:
952.13Type:
Small moleculeAlogP:
-3.42Polar Surface Area:
382.30HBA:
14HBD:
12#RO5 Violations:
3#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
-3.03Polar Surface Area:
382.30HBA:
14HBD:
12#RO5 Violations:
3#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
ProteinAlogP:
-4.09Polar Surface Area:
408.32HBA:
15HBD:
13#RO5 Violations:
3#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.06DETAILS - ALA3277498
Name:
1-Deamino[4-threonine,8-D-arginine]vasopressinMol. Formula:
C45H63N13O12S2M.W.:
1042.21Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA3273609
Name:
[1-gamma-Mercaptobutyric acid,6-homocysteine]oxytocinMol. Formula:
C45H69N11O12S2M.W.:
1020.25Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA3273608
Name:
[1-beta-Mercaptopropionic acid,6-homocysteine]oxytocinMol. Formula:
C44H67N11O12S2M.W.:
1006.22Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA3273607
Name:
[1-alpha-Mercaptoacetic acid,6-homocysteine]oxytocinMol. Formula:
C43H65N11O12S2M.W.:
992.19Type:
Small moleculeAlogP:
-2.55Polar Surface Area:
373.51HBA:
14HBD:
11#RO5 Violations:
3#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.07DETAILS -
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
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