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
1601 BBP-25983 BBP-25983 0.467 0.450 Green 0.62 - 24 -4.7 73 417 2 4.2 3.6
1602 BBP-20225 BBP-20225 0.467 0.352 Yellow 0.75 -6.6 73 -4.7 83 395 2 3.8 2.9
1603 BBP-25087 BBP-25087 0.467 0.420 Green 0.53 - 32 -4.7 70 370 2 4.5 3.1
1604 BBP-28560 BBP-28560 0.467 0.418 Green 0.55 - 33 -4.7 73 399 2 4.2 3.1
1605 BBP-20167 BBP-20167 0.467 0.330 Yellow 0.62 -6.8 76 -4.7 83 371 2 3.3 2.8
1606 BBP-23129 BBP-23129 0.467 0.286 Green 0.56 - 54 -4.7 73 399 2 3.6 2.9
1607 BBP-26626 BBP-26626 0.467 0.375 Green 0.72 - 65 -4.7 72 440 3 4.2 3.1
1608 BBP-22182 BBP-22182 0.467 0.326 Green 0.64 - 54 -4.7 70 402 2 4.4 3.3
1609 BBP-26142 BBP-26142 0.467 0.395 Green 0.44 - 49 -4.7 70 356 2 4.2 3.0
1610 BBP-18217 BBP-18217 0.466 0.250 Yellow 0.79 -6.7 56 -5.3 82 379 2 2.7 2.4
1611 BBP-28096 BBP-28096 0.466 0.378 Green 0.50 - 27 -4.7 70 388 2 4.4 3.0
1612 BBP-19276 BBP-19276 0.466 0.337 Yellow 0.68 -7.0 62 -4.7 83 381 2 3.8 3.3
1613 BBP-19636 BBP-19636 0.466 0.329 Yellow 0.59 -7.3 47 -4.7 83 361 2 4.2 3.0
1614 BBP-20521 BBP-20521 0.466 0.311 Yellow 0.75 -6.4 86 -4.7 83 381 2 3.5 2.7
1615 BBP-07286 BBP-07286 0.466 0.447 Yellow 0.68 -6.7 57 -4.7 82 429 2 3.6 3.7
1616 BBP-20405 BBP-20405 0.466 0.286 Yellow 0.78 -6.6 72 -4.7 83 392 2 3.9 2.8
1617 BBP-28693 BBP-28693 0.466 0.400 Green 0.53 - 54 -4.7 73 403 2 4.0 3.0
1618 BBP-09127 BBP-09127 0.466 0.458 Yellow 0.53 -7.1 68 -4.7 89 441 2 3.3 3.2
1619 BBP-28743 BBP-28743 0.466 0.358 Green 0.53 - 52 -4.7 70 370 2 4.3 3.2
1620 BBP-19355 BBP-19355 0.466 0.364 Yellow 0.71 -6.9 78 -4.7 83 384 2 4.0 3.0
1621 BBP-20165 BBP-20165 0.466 0.341 Yellow 0.73 -6.7 65 -4.7 83 395 2 3.8 2.9
1622 BBP-26597 BBP-26597 0.466 0.402 Green 0.57 - 57 -4.7 79 398 2 4.1 3.3
1623 BBP-19804 BBP-19804 0.466 0.289 Yellow 0.70 -6.6 61 -4.7 83 370 2 3.4 2.8
1624 BBP-20108 BBP-20108 0.466 0.348 Yellow 0.70 -6.9 54 -4.7 83 393 2 4.0 3.4
1625 BBP-20538 BBP-20538 0.466 0.280 Yellow 0.75 -6.9 62 -4.7 83 398 2 4.0 2.7
1626 BBP-23315 BBP-23315 0.466 0.295 Green 0.69 - 77 -4.7 74 411 2 4.5 3.2
1627 BBP-25078 BBP-25078 0.466 0.438 Green 0.52 - 29 -4.7 70 370 2 4.5 3.1
1628 BBP-19911 BBP-19911 0.466 0.269 Yellow 0.71 -6.8 53 -4.7 81 400 2 3.0 3.1
1629 BBP-19328 BBP-19328 0.466 0.315 Yellow 0.71 -6.6 65 -4.8 83 387 2 3.8 2.8
1630 BBP-21135 BBP-21135 0.466 0.356 Yellow 0.61 -7.2 69 -4.7 86 396 2 3.2 3.4
1631 BBP-22017 BBP-22017 0.466 0.318 Yellow 0.73 -6.8 51 -4.7 83 413 2 3.9 3.0
1632 BBP-19983 BBP-19983 0.465 0.278 Yellow 0.57 -6.6 40 -4.8 83 382 2 4.1 3.1
1633 BBP-19814 BBP-19814 0.465 0.289 Yellow 0.57 -6.3 45 -4.7 83 375 2 4.0 2.9
1634 BBP-25073 BBP-25073 0.465 0.461 Green 0.53 - 35 -4.7 73 399 2 4.2 3.1
1635 BBP-23295 BBP-23295 0.465 0.337 Green 0.67 - 67 -4.7 83 379 2 3.7 3.4
1636 BBP-25328 BBP-25328 0.465 0.415 Green 0.50 - 38 -4.7 70 356 2 4.2 3.0
1637 BBP-15596 LEAD BBP-15596 0.465 0.474 Green 0.64 -7.6 34 -4.7 83 375 2 4.5 3.1
1638 BBP-23268 BBP-23268 0.465 0.349 Green 0.71 - 107 -5.3 81 378 2 2.7 2.7
1639 BBP-27090 BBP-27090 0.465 0.422 Green 0.74 - 61 -4.8 76 469 2 4.3 3.6
1640 BBP-27310 BBP-27310 0.465 0.383 Green 0.53 - 39 -4.7 70 374 2 4.3 3.0
1641 BBP-21932 BBP-21932 0.465 0.402 Yellow 0.68 -6.8 53 -4.7 86 396 2 3.3 3.6
1642 BBP-22101 BBP-22101 0.465 0.400 Yellow 0.43 -6.6 51 -4.7 70 392 2 4.5 3.1
1643 BBP-23152 BBP-23152 0.465 0.342 Green 0.40 - 41 -4.7 61 358 1 3.9 3.2
1644 BBP-25304 BBP-25304 0.465 0.386 Green 0.50 - 51 -4.7 70 356 2 4.2 3.1
1645 BBP-19169 BBP-19169 0.465 0.341 Yellow 0.63 -6.8 61 -4.7 83 367 2 3.4 3.4
1646 BBP-19862 BBP-19862 0.465 0.289 Yellow 0.75 -6.5 74 -4.7 83 378 2 3.6 2.7
1647 BBP-26808 BBP-26808 0.465 0.425 Green 0.50 - 43 -4.7 70 370 2 4.5 3.1
1648 BBP-25145 BBP-25145 0.465 0.427 Green 0.49 - 44 -4.7 79 400 2 4.3 3.0
1649 BBP-18398 BBP-18398 0.464 0.263 Yellow 0.61 -7.2 57 -4.7 87 411 2 3.1 3.8
1650 BBP-20454 BBP-20454 0.464 0.289 Yellow 0.78 -6.6 66 -4.7 83 392 2 3.9 2.9