Compounds (3260 results)

All Green Yellow Leads
Scaffolds SAR Heatmap Matched Pairs
CSV SDF
Rank ID Structure Score 1664 Sim Traffic BBB Vina 3D PSA MDCK TPSA MW HBD SlogP SA
1751 BBP-22457 BBP-22457 0.460 0.353 Green 0.49 - 57 -4.7 79 350 2 3.9 2.7
1752 BBP-22313 BBP-22313 0.460 0.346 Green 0.48 - 43 -4.7 70 356 2 4.2 2.9
1753 BBP-22907 BBP-22907 0.460 0.326 Green 0.60 - 50 -4.7 66 403 2 4.5 3.4
1754 BBP-23353 BBP-23353 0.460 0.287 Green 0.60 - 53 -4.7 70 388 2 4.3 3.2
1755 BBP-15587 BBP-15587 0.460 0.471 Yellow 0.76 -7.1 53 -4.8 82 438 2 4.2 3.0
1756 BBP-17290 BBP-17290 0.460 0.294 Yellow 0.66 -7.0 44 -4.7 85 400 3 3.0 2.6
1757 BBP-25236 BBP-25236 0.460 0.427 Green 0.51 - 37 -4.7 70 374 2 4.3 3.3
1758 BBP-18286 BBP-18286 0.459 0.311 Yellow 0.66 -7.1 48 -4.7 86 405 2 3.3 4.2
1759 BBP-20174 BBP-20174 0.459 0.333 Yellow 0.62 -6.8 71 -4.7 83 389 2 3.4 2.9
1760 BBP-20512 BBP-20512 0.459 0.337 Yellow 0.58 -6.9 58 -4.9 86 382 2 2.7 3.1
1761 BBP-20541 BBP-20541 0.459 0.318 Yellow 0.71 -7.0 96 -4.7 86 387 3 3.5 3.2
1762 BBP-20804 BBP-20804 0.459 0.265 Yellow 0.64 -6.6 91 -4.7 87 376 2 3.5 3.2
1763 BBP-24881 BBP-24881 0.459 0.395 Green 0.57 - 51 -4.8 83 355 2 4.0 3.1
1764 BBP-25101 BBP-25101 0.459 0.436 Green 0.48 - 34 -4.7 70 374 2 4.3 3.2
1765 BBP-25424 BBP-25424 0.459 0.410 Green 0.60 - 36 -4.7 83 383 2 4.1 3.2
1766 BBP-19926 BBP-19926 0.459 0.268 Green 0.59 -7.9 61 -4.7 87 420 2 3.1 3.9
1767 BBP-20278 BBP-20278 0.459 0.286 Yellow 0.77 -6.4 69 -4.7 83 392 2 4.0 2.9
1768 BBP-22010 BBP-22010 0.459 0.381 Yellow 0.56 -6.9 43 -4.7 86 386 2 3.3 3.0
1769 BBP-19648 BBP-19648 0.459 0.318 Yellow 0.57 -6.7 71 -5.3 86 368 2 2.2 2.7
1770 BBP-22047 BBP-22047 0.459 0.419 Yellow 0.67 -7.1 41 -4.8 86 423 2 4.4 3.1
1771 BBP-19762 BBP-19762 0.459 0.312 Yellow 0.71 -6.9 61 -4.7 82 385 3 3.6 3.0
1772 BBP-20729 BBP-20729 0.459 0.272 Yellow 0.70 -6.4 80 -4.7 83 363 2 3.3 2.6
1773 BBP-24035 BBP-24035 0.459 0.436 Green 0.46 - 30 -4.7 70 356 2 4.2 2.9
1774 BBP-21427 BBP-21427 0.459 0.322 Yellow 0.62 -7.3 65 -4.7 83 395 2 4.1 2.9
1775 BBP-20853 BBP-20853 0.459 0.282 Yellow 0.71 -7.0 62 -4.7 86 419 2 3.4 2.8
1776 BBP-22438 BBP-22438 0.459 0.274 Green 0.69 - 34 -4.7 70 430 2 4.4 3.5
1777 BBP-26059 BBP-26059 0.459 0.423 Green 0.49 - 25 -4.7 73 403 2 4.1 3.1
1778 BBP-19415 BBP-19415 0.459 0.348 Yellow 0.63 -7.4 63 -4.7 83 421 2 4.2 2.9
1779 BBP-20467 BBP-20467 0.459 0.293 Yellow 0.71 -7.0 56 -4.7 85 442 3 4.3 4.3
1780 BBP-21125 BBP-21125 0.459 0.398 Yellow 0.45 -7.2 51 -4.7 87 384 2 3.7 2.9
1781 BBP-27568 BBP-27568 0.459 0.419 Green 0.78 - 62 -4.7 86 408 2 3.1 2.9
1782 BBP-22683 BBP-22683 0.459 0.425 Green 0.50 - 44 -4.7 70 374 2 4.3 3.3
1783 BBP-26201 BBP-26201 0.459 0.372 Green 0.53 - 54 -4.7 79 430 2 4.3 3.4
1784 BBP-27457 BBP-27457 0.459 0.427 Green 0.78 - 56 -4.7 86 408 2 3.3 2.8
1785 BBP-19672 BBP-19672 0.458 0.319 Yellow 0.57 -6.9 68 -5.3 87 372 1 2.3 3.8
1786 BBP-22436 BBP-22436 0.458 0.300 Green 0.55 - 48 -4.7 76 371 2 4.0 3.3
1787 BBP-19508 BBP-19508 0.458 0.337 Yellow 0.58 -6.6 61 -4.7 83 353 2 2.9 3.3
1788 BBP-19514 BBP-19514 0.458 0.286 Yellow 0.67 -6.7 63 -4.7 83 389 2 3.4 3.1
1789 BBP-19607 BBP-19607 0.458 0.315 Green 0.67 -7.5 70 -4.7 83 417 2 4.4 3.3
1790 BBP-20255 BBP-20255 0.458 0.348 Yellow 0.63 -7.1 57 -4.7 86 405 2 3.6 3.4
1791 BBP-21238 BBP-21238 0.458 0.364 Green 0.63 -7.6 37 -4.7 82 399 3 3.8 3.4
1792 BBP-21824 BBP-21824 0.458 0.438 Green 0.44 -7.6 41 -4.7 83 371 2 3.9 3.2
1793 BBP-26028 BBP-26028 0.458 0.458 Green 0.55 - 49 -4.7 79 418 2 4.3 3.6
1794 BBP-27765 BBP-27765 0.458 0.449 Green 0.48 - 29 -4.7 70 370 2 4.5 3.0
1795 BBP-19308 BBP-19308 0.458 0.377 Yellow 0.62 -7.1 47 -4.7 83 381 2 4.4 3.3
1796 BBP-20640 BBP-20640 0.458 0.270 Yellow 0.67 -6.5 92 -4.7 83 363 2 3.3 2.7
1797 BBP-02370 BBP-02370 0.458 0.415 Yellow 0.64 -7.3 66 -4.7 82 435 3 4.0 3.4
1798 BBP-19775 BBP-19775 0.458 0.289 Yellow 0.67 -6.5 70 -4.7 83 370 2 3.4 2.8
1799 BBP-20244 BBP-20244 0.458 0.308 Yellow 0.63 -7.3 86 -4.7 87 426 2 4.2 2.8
1800 BBP-21449 BBP-21449 0.458 0.319 Yellow 0.63 -6.8 87 -4.7 87 380 2 3.3 3.2