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Compound InformationSONAR Target prediction
Name:

ZEORIN

Unique Identifier:SPE01800055
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C30H52O2
Molecular Weight:394.336 g/mol
X log p:-0.0620000000000002  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:CC(C)(O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3C(O)CC21C
Source:ex various lichens, e.g., Anaptychia species
Reference:Bull Soc Chim 1963: 1702
Generic_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Chemical_iupac_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Drug_type:Experimental
Drugbank_id:EXPT00530
Logp:3.73
Drug_category:Sex Hormone-Binding Globulin inhibitor
Organisms_affected:-1

Found: 101 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6964±0.00325269
Normalized OD Score: sc h 0.9945±0.0011446
Z-Score: -0.2967±0.0577088
p-Value: 0.766918
Z-Factor: -38.1942
Fitness Defect: 0.2654
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00052
Plate DMSO Control (-):0.687425±0.02326
Plate Z-Factor:0.8902
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DBLink | Rows returned: 2037[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [340]
7634 5-ethylnonan-2-ol
7720 2-ethylhexan-1-ol
7735 [4-(hydroxymethyl)cyclohexyl]methanol
7792 3,7-dimethyloctan-1-ol
8129 heptan-1-ol
8174 decan-1-ol

internal high similarity DBLink | Rows returned: 381 2 3 4 5 6 7 Next >> 
BTB 12413 0.9231
RJC 00940 0.9231
JFD 01247 0.9231
NRB 02212 0.9231
BTB 14986 0.9231
BTB 14459 0.9231

active | Cluster 466 | Additional Members: 1 | Rows returned: 0
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