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Compound InformationSONAR Target prediction
Name:

ACC Hydrochloride

Unique Identifier:LAT003A06
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C4ClH8NO2
Molecular Weight:129.501 g/mol
X log p:-2.117  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:Cl.NC1(CC1)C(O)=O
Generic_name:1-AMINOCYCLOPROPANECARBOXYLIC ACID
Chemical_iupac_name:1-AMINOCYCLOPROPANECARBOXYLIC ACID
Drug_type:Experimental
Drugbank_id:EXPT00065
Drug_category:1-Aminocyclopropane-1-Carboxylate Deaminase inhibitor
Organisms_affected:-1

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.8179±0.016617
Normalized OD Score: sc h 1.0487±0.0329024
Z-Score: 1.3671±0.716373
p-Value: 0.225234
Z-Factor: -2.50744
Fitness Defect: 1.4906
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:3|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.04±0.00167
Plate DMSO Control (-):0.80105±0.01681
Plate Z-Factor:0.9253
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DBLink | Rows returned: 76<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
80283 (2S)-2-aminobutanoic acid
94744 2-amino-2-methyl-butanoic acid
116758 calcium 2-amino-3-methyl-butanoate
164608 (2S)-2-amino-3,3-dimethyl-butanoic acid
214786 sodium (2S)-2-amino-3-methyl-butanoate
229525 2-amino-2,3-dimethyl-butanoic acid

internal high similarity DBLink | Rows returned: 2
LOPAC 00644 1.0000
SPE01502130 1.0000

active | Cluster 4858 | Additional Members: 8 | Rows returned: 1
SPE01502131 0.2

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