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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
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.8326±0.00572756
Normalized OD Score: sc h 1.0134±0.0125102
Z-Score: 0.7334±0.645877
p-Value: 0.508038
Z-Factor: -4.73468
Fitness Defect: 0.6772
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:3|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.03905±0.00147
Plate DMSO Control (-):0.8016749999999999±0.01292
Plate Z-Factor:0.9501
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DBLink | Rows returned: 76<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
5460780 (2R)-2-amino-3-methyl-butanoate
5460782 [(1S)-1-carboxy-2-methyl-propyl]azanium
5460783 (2S)-2-amino-3-methyl-butanoate
6376605 2-amino-3-methyl-butanoic acid; tin
6454281 sodium 2-aminobutanoate
6857370 (2S)-2-aminobutanoate

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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