| Compound Information | SONAR Target prediction | | Name: | Ursolic acid | | Unique Identifier: | Prest355 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C30H48O3 | | Molecular Weight: | 411.343 g/mol | | X log p: | 1.228 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C)C(O)=O |
| Species: |
9606 |
| Condition: |
TMPPre003 |
| Replicates: |
2 |
| Raw OD Value: r im |
18114.0000±0 |
| Normalized OD Score: sc h |
0.9938±0 |
| Z-Score: |
-0.1724±0 |
| p-Value: |
0.863132 |
| Z-Factor: |
-21.9355 |
| Fitness Defect: |
0.1472 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 2|A10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.40 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 18614.5±2372.77494 | | Plate DMSO Control (-): | 18453±1651.99066 | | Plate Z-Factor: | -21.7740 |
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ps
pdf |
| 6572002 |
(1R,2S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,1
0,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate |
| 6572003 |
(1R,2S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,1
0,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| 6604209 |
(1R,2R,4aR,6aS,6aR,6bS,8aS,10R,12aS,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,1
0,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| 6604609 |
(4aS,6aS,6aS,6bS,8aS,10S,12aS,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,1
2,13,14b-tetradecahydropicene-4a-carboxylic acid |
| 6604610 |
(1S,2R,4aR,6aS,6aS,6bS,8aS,10S,12aS,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,1
0,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| 6918472 |
(1S,2R,4aS,6aS,6aS,6bR,8aS,10S,12aS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,
12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 1869 | Additional Members: 9 | Rows returned: 4 | |
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