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Compound InformationSONAR Target prediction
Name:

PSOROMIC ACID

Unique Identifier:SPE00200040
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H14O8
Molecular Weight:344.188 g/mol
X log p:6.389  (online calculus)
Lipinksi Failures1
TPSA78.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:3
Canonical Smiles:COc1cc(C(O)=O)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C
Source:mp 270-272 C
Reference:J Pharm Soc Japan 59, 323 (1939)

Found: 94 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [94]
Species: 4932
Condition: CLB2
Replicates: 2
Raw OD Value: r im 0.6678±0.011243
Normalized OD Score: sc h 0.9770±0.0138016
Z-Score: -1.3373±0.82553
p-Value: 0.252908
Z-Factor: -5.21092
Fitness Defect: 1.3747
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2007-11-02 YYYY-MM-DD
Plate CH Control (+):0.040650000000000006±0.00031
Plate DMSO Control (-):0.6779999999999999±0.01990
Plate Z-Factor:0.9077
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DBLink | Rows returned: 1
23725

internal high similarity DBLink | Rows returned: 2
SPE00200489 0.9262
SPE01504106 0.9796

active | Cluster 8237 | Additional Members: 3 | Rows returned: 1
SPE01504106 0

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