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Compound InformationSONAR Target prediction
Name:

Gramicidin D (Gramicidin A Shown)

Unique Identifier:LAT006B02
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C101H143N19O17
Molecular Weight:1752.21 g/mol
X log p:37.835  (online calculus)
Lipinksi Failures3
TPSA273.12
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:36
Rotatable Bond Count:69
Canonical Smiles:CCC(C)C(NC=O)C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C
(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(Cc1cnc2ccccc12)C(=O)NC(CC(C)C)C(=O)
NC(CC1=CCc2ccccc21)C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc2ccccc12)C(=O)NC(CC(C)
C)C(=O)NC(Cc1cnc2ccccc12)C(=O)NCCO

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.7025±0.0156271
Normalized OD Score: sc h 1.0193±0.00693857
Z-Score: 0.8408±0.322763
p-Value: 0.41261
Z-Factor: -3.34058
Fitness Defect: 0.8853
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:6|B2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.041575±0.00220
Plate DMSO Control (-):0.6727000000000001±0.01163
Plate Z-Factor:0.9515
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1 | Additional Members: 50 | Rows returned: 141 2 3 Next >> 
LOPAC 00756 0
SPE01503692 0
LAT007G07 0
Prest1291 0
LAT007H07 0
LAT007E08 0

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