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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
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.8087±0.00374767
Normalized OD Score: sc h 1.0140±0.0023313
Z-Score: 0.8267±0.0290807
p-Value: 0.408518
Z-Factor: -1.84636
Fitness Defect: 0.8952
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:6|B2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.03945±0.00164
Plate DMSO Control (-):0.78535±0.01358
Plate Z-Factor:0.9421
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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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