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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] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [101]
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.3609±0.0194454
Normalized OD Score: sc h 1.0405±0.0142125
Z-Score: 0.4031±0.0876556
p-Value: 0.68742
Z-Factor: -9.98578
Fitness Defect: 0.3748
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.040875±0.00082
Plate DMSO Control (-):0.312075±0.03162
Plate Z-Factor:0.6029
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DBLink | Rows returned: 2037[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [340]
11524 4-methylcyclohexan-1-ol
11527 octan-3-ol
11550 1-methylcyclohexan-1-ol
11566 3-methylcyclohexan-1-ol
12216 nonan-3-ol
12242 2-methylheptan-2-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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