| ZINC ID | Supplier information; Representations Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB Annotations; Similarity | Structure Click for quick 3D display |
|---|---|---|
| 33894621 #1   
 | Leadscope via PubChem: LS-134587 ref: mol2, SDF, SMILES, flexibase 2.08,11.17,-128.96,1,8,-2, 443.868, 5 | |
| 33856525 #2
| Leadscope via PubChem: LS-134589 ref: mol2, SDF, SMILES, flexibase 0.82,2.42,-41.43,0,7,-1, 293.299, 8 mid: mol2, SDF, SMILES, flexibase 1.52,4.96,-8.34,1,7,0, 294.307, 8 | |
| 95890492 #3
| Leadscope via PubChem: LS-134586 ref: mol2, SDF, SMILES, flexibase 3.53,12.47,-52.11,2,9,-1, 550.016, 9 | |
| 33894623 #4
| Leadscope via PubChem: LS-134587 ref: mol2, SDF, SMILES, flexibase 2.08,10.99,-134.62,1,8,-2, 443.868, 5 | |
| 33754684 #5
| Leadscope via PubChem: LS-134554 ref: mol2, SDF, SMILES, flexibase 2.32,6.41,-23.76,2,9,0, 402.451, 7 hi: mol2, SDF, SMILES, flexibase 2.32,7.62,-63.57,1,9,-1, 401.443, 7 lo: mol2, SDF, SMILES, flexibase 2.32,6.53,-44.22,3,9,1, 403.459, 7 | |
| 33827012 #6
| Leadscope via PubChem: LS-134555 ref: mol2, SDF, SMILES, flexibase 3.91,9.64,-32.23,3,8,0, 485.466, 7 hi: mol2, SDF, SMILES, flexibase 3.91,10.85,-69.86,2,8,-1, 484.458, 7 | |
| 33754686 #7
| Leadscope via PubChem: LS-134556 ref: mol2, SDF, SMILES, flexibase 3.05,7.4,-21.99,2,6,0, 366.343, 5 hi: mol2, SDF, SMILES, flexibase 3.05,8.62,-65.75,1,6,-1, 365.335, 5 lo: mol2, SDF, SMILES, flexibase 3.05,7.5,-41.99,3,6,1, 367.351, 5 | |
| 33754682 #8
| Leadscope via PubChem: LS-134557 ref: mol2, SDF, SMILES, flexibase 1.81,5.54,-24.34,2,9,0, 388.424, 7 hi: mol2, SDF, SMILES, flexibase 1.81,6.75,-64.05,1,9,-1, 387.416, 7 lo: mol2, SDF, SMILES, flexibase 1.81,5.66,-43.75,3,9,1, 389.432, 7 | |
| 3624236 #9
| Leadscope via PubChem: LS-134559 SureChEMBL: SCHEMBL11630341 ref: mol2, SDF, SMILES, flexibase 0.38,6,-10.87,2,3,0, 229.308, 3 | |
| 3624234 #10
| Leadscope via PubChem: LS-134559 SureChEMBL: SCHEMBL11630341 ref: mol2, SDF, SMILES, flexibase 0.38,6,-10.81,2,3,0, 229.308, 3 | |
| 33865744 #11
| Leadscope via PubChem: LS-134560 ref: mol2, SDF, SMILES, flexibase 1.07,5.42,-16.21,2,8,0, 380.404, 5 | |
| 33865743 #12
| Leadscope via PubChem: LS-134560 ref: mol2, SDF, SMILES, flexibase 1.07,5.43,-17.75,2,8,0, 380.404, 5 | |
| 33827022 #13
| Leadscope via PubChem: LS-134551 ref: mol2, SDF, SMILES, flexibase 3.17,8.61,-31.36,3,11,0, 521.574, 9 hi: mol2, SDF, SMILES, flexibase 3.17,9.83,-69.93,2,11,-1, 520.566, 9 | |
| 33754696 #14
| Leadscope via PubChem: LS-134552 ref: mol2, SDF, SMILES, flexibase 3.56,8.27,-21.48,2,6,0, 380.37, 5 hi: mol2, SDF, SMILES, flexibase 3.56,9.48,-65.3,1,6,-1, 379.362, 5 lo: mol2, SDF, SMILES, flexibase 3.56,8.37,-42.29,3,6,1, 381.378, 5 | |
| 33754683 #15
| Leadscope via PubChem: LS-134549 ref: mol2, SDF, SMILES, flexibase 1.26,3.99,-24.73,2,10,0, 404.423, 7 hi: mol2, SDF, SMILES, flexibase 1.26,5.2,-63.43,1,10,-1, 403.415, 7 lo: mol2, SDF, SMILES, flexibase 1.26,4.11,-47.04,3,10,1, 405.431, 7 | |
| 33827014 #16
| Leadscope via PubChem: LS-134550 ref: mol2, SDF, SMILES, flexibase 4.42,10.49,-29.5,3,8,0, 499.493, 7 hi: mol2, SDF, SMILES, flexibase 4.42,11.7,-67.52,2,8,-1, 498.485, 7 | |
| 33754687 #17
| Leadscope via PubChem: LS-134548 ref: mol2, SDF, SMILES, flexibase 2.50,5.85,-22.38,2,7,0, 382.342, 5 hi: mol2, SDF, SMILES, flexibase 2.50,7.07,-65.11,1,7,-1, 381.334, 5 lo: mol2, SDF, SMILES, flexibase 2.50,5.95,-44.97,3,7,1, 383.35, 5 | |
| 33827020 #18
| Leadscope via PubChem: LS-134547 ref: mol2, SDF, SMILES, flexibase 2.11,6.18,-31.78,3,12,0, 523.546, 9 hi: mol2, SDF, SMILES, flexibase 2.11,7.39,-70.07,2,12,-1, 522.538, 9 | |
| 33827093 #19
| Leadscope via PubChem: LS-134546 ref: mol2, SDF, SMILES, flexibase 3.35,8.04,-29.41,3,9,0, 501.465, 7 hi: mol2, SDF, SMILES, flexibase 3.35,9.26,-67.25,2,9,-1, 500.457, 7 | |
| 33754685 #20
| Leadscope via PubChem: LS-134545 ref: mol2, SDF, SMILES, flexibase 2.82,7.32,-23.57,2,9,0, 416.478, 7 hi: mol2, SDF, SMILES, flexibase 2.82,8.53,-63.45,1,9,-1, 415.47, 7 lo: mol2, SDF, SMILES, flexibase 2.82,7.44,-44.35,3,9,1, 417.486, 7 | |
| 33754695 #21
| Leadscope via PubChem: LS-134544 ref: mol2, SDF, SMILES, flexibase 4.06,9.18,-21.21,2,6,0, 394.397, 5 hi: mol2, SDF, SMILES, flexibase 4.06,10.4,-64.97,1,6,-1, 393.389, 5 lo: mol2, SDF, SMILES, flexibase 4.06,9.28,-42.36,3,6,1, 395.405, 5 | |
| 33754697 #22
| Chembo Pharma: KB-221796 Leadscope via PubChem: LS-134543 ref: mol2, SDF, SMILES, flexibase 2.32,6.48,-21.73,2,6,0, 316.336, 4 hi: mol2, SDF, SMILES, flexibase 2.32,7.69,-61.5,1,6,-1, 315.328, 4 | |
| 33754698 #23
| Chembo Pharma: KB-221795 Leadscope via PubChem: LS-134542 ref: mol2, SDF, SMILES, flexibase 1.76,4.93,-21.55,2,7,0, 332.335, 4 hi: mol2, SDF, SMILES, flexibase 1.76,6.14,-60.43,1,7,-1, 331.327, 4 lo: mol2, SDF, SMILES, flexibase 1.76,5.03,-40.42,3,7,1, 333.343, 4 | |
| 33901910 #24
| Leadscope via PubChem: LS-134081 ref: mol2, SDF, SMILES, flexibase 2.29,9.25,-14.48,0,6,0, 319.386, 6 | |
| 33857769 #25
| Leadscope via PubChem: LS-134083 ref: mol2, SDF, SMILES, flexibase 2.32,13.79,-64.34,0,9,-1, 434.476, 7 mid: mol2, SDF, SMILES, flexibase 2.32,16.01,-99.56,1,9,0, 435.484, 7 | |
| 33901909 #26
| Leadscope via PubChem: LS-134087 ref: mol2, SDF, SMILES, flexibase 3.56,12.58,-16.49,0,6,0, 381.457, 7 | |
| 33901856 #27
| Leadscope via PubChem: LS-134088 ref: mol2, SDF, SMILES, flexibase 3.56,10.81,-10.96,0,6,0, 381.457, 7 | |
| 95890586 #28
| Leadscope via PubChem: LS-134089 ref: mol2, SDF, SMILES, flexibase 1.99,10.65,-14.51,1,6,0, 341.392, 4 mid: mol2, SDF, SMILES, flexibase 2.45,8.86,-58.45,0,6,-1, 340.384, 4 | |
| 3608926 #29
| Leadscope via PubChem: LS-134090 ref: mol2, SDF, SMILES, flexibase 0.48,7.06,-11.43,0,6,0, 280.324, 3 | |
| 3608929 #30
| Leadscope via PubChem: LS-134090 ref: mol2, SDF, SMILES, flexibase 0.48,7.13,-12.41,0,6,0, 280.324, 3 | |
| 3608927 #31
| Leadscope via PubChem: LS-134090 ref: mol2, SDF, SMILES, flexibase 0.48,7.15,-12.35,0,6,0, 280.324, 3 | |
| 3608930 #32
| Leadscope via PubChem: LS-134090 ref: mol2, SDF, SMILES, flexibase 0.48,7.03,-11.44,0,6,0, 280.324, 3 | |
| 5574518 #33
| Leadscope via PubChem: LS-134092 ref: mol2, SDF, SMILES, flexibase 1.12,7.27,-17.15,0,5,0, 252.314, 3 | |
| 5574510 #34
| Leadscope via PubChem: LS-134092 ref: mol2, SDF, SMILES, flexibase 1.12,7.17,-15.76,0,5,0, 252.314, 3 | |
| 5851527 #35
| Leadscope via PubChem: LS-134093 ref: mol2, SDF, SMILES, flexibase 1.50,7.99,-15.14,0,5,0, 266.341, 4 | |
| 2574370 #36
| Leadscope via PubChem: LS-134093 ref: mol2, SDF, SMILES, flexibase 1.50,8.24,-16.35,0,5,0, 266.341, 4 | |
| 90470858 #37
| Leadscope via PubChem: LS-134099 ref: mol2, SDF, SMILES, flexibase 0.67,4.05,-45.34,0,5,-1, 253.322, 2 mid: mol2, SDF, SMILES, flexibase 1.38,5.27,-7.77,0,5,0, 254.33, 3 lo: mol2, SDF, SMILES, flexibase 0.67,6.21,-39.96,1,5,0, 254.33, 2 lo: mol2, SDF, SMILES, flexibase 1.38,6.95,-39.81,1,5,1, 255.338, 3 | |
| 39647468 #38
| Leadscope via PubChem: LS-134100 SureChEMBL: SCHEMBL11241502 ref: mol2, SDF, SMILES, flexibase 4.43,12.08,-48.62,0,5,-1, 333.367, 5 mid: mol2, SDF, SMILES, flexibase 4.43,12.42,-50.62,1,5,0, 334.375, 5 | |
| 95890585 #39
| Leadscope via PubChem: LS-134102 ref: mol2, SDF, SMILES, flexibase 4.53,18.85,-58.51,1,9,1, 577.105, 10 mid: mol2, SDF, SMILES, flexibase 4.53,16.64,-18.4,0,9,0, 576.097, 10 | |
| 95890584 #40
| Leadscope via PubChem: LS-134103 ref: mol2, SDF, SMILES, flexibase 4.23,18.67,-50.36,1,9,1, 563.078, 9 mid: mol2, SDF, SMILES, flexibase 4.23,16.45,-16.97,0,9,0, 562.07, 9 | |
| 33898635 #41
| Leadscope via PubChem: LS-134104 ref: mol2, SDF, SMILES, flexibase 2.50,14.22,-45.78,1,8,1, 425.509, 9 hi: mol2, SDF, SMILES, flexibase 2.50,12.07,-15.74,0,8,0, 424.501, 9 | |
| 33898633 #42
| Leadscope via PubChem: LS-134105 ref: mol2, SDF, SMILES, flexibase 3.31,14.66,-16.75,0,7,0, 415.449, 6 | |
| 33893820 #43
| Leadscope via PubChem: LS-134107 ref: mol2, SDF, SMILES, flexibase 3.60,17.56,-55.76,1,9,1, 528.633, 9 mid: mol2, SDF, SMILES, flexibase 3.60,15.35,-17.88,0,9,0, 527.625, 9 | |
| 33898631 #44
| Leadscope via PubChem: LS-134108 ref: mol2, SDF, SMILES, flexibase 2.36,12.12,-15.57,0,7,0, 365.389, 6 | |
| 95890583 #45
| Leadscope via PubChem: LS-134113 ref: mol2, SDF, SMILES, flexibase -0.17,3.93,-15.65,2,7,0, 239.231, 3 | |
| 95890582 #46
| Leadscope via PubChem: LS-134113 ref: mol2, SDF, SMILES, flexibase -0.17,3.93,-15.64,2,7,0, 239.231, 3 | |
| 32220416 #47
| Leadscope via PubChem: LS-134118 ref: mol2, SDF, SMILES, flexibase 3.24,4.44,-47.26,5,6,1, 355.23, 2 hi: mol2, SDF, SMILES, flexibase 1.98,4.42,-29.16,4,6,0, 354.222, 2 hi: mol2, SDF, SMILES, flexibase 1.98,4.42,-27.74,4,6,0, 354.222, 2 hi: mol2, SDF, SMILES, flexibase 3.24,3.95,-24.09,4,6,0, 354.222, 2 Similar to: 5889207, | |
| 32220417 #48
| Leadscope via PubChem: LS-134118 ref: mol2, SDF, SMILES, flexibase 3.24,4.43,-36.13,5,6,1, 355.23, 2 hi: mol2, SDF, SMILES, flexibase 1.98,4.42,-15.39,4,6,0, 354.222, 2 hi: mol2, SDF, SMILES, flexibase 1.98,4.42,-14,4,6,0, 354.222, 2 hi: mol2, SDF, SMILES, flexibase 3.24,3.94,-13.54,4,6,0, 354.222, 2 Similar to: 5889207, | |
| 39630479 #49
| Leadscope via PubChem: LS-134121 ref: mol2, SDF, SMILES, flexibase 2.12,3.53,-45.02,5,6,1, 304.33, 2 hi: mol2, SDF, SMILES, flexibase 0.86,3.51,-27.16,4,6,0, 303.322, 2 hi: mol2, SDF, SMILES, flexibase 0.86,3.51,-25.71,4,6,0, 303.322, 2 hi: mol2, SDF, SMILES, flexibase 2.12,3.04,-22.5,4,6,0, 303.322, 2 | |
| 39630476 #50
| Leadscope via PubChem: LS-134121 ref: mol2, SDF, SMILES, flexibase 2.12,3.53,-37.75,5,6,1, 304.33, 2 hi: mol2, SDF, SMILES, flexibase 0.86,3.52,-17.13,4,6,0, 303.322, 2 hi: mol2, SDF, SMILES, flexibase 0.86,3.52,-15.79,4,6,0, 303.322, 2 hi: mol2, SDF, SMILES, flexibase 2.12,3.04,-15.78,4,6,0, 303.322, 2 | |
| 53277364 #51
| Leadscope via PubChem: LS-134124 ref: mol2, SDF, SMILES, flexibase 2.05,5.69,-16.79,4,6,0, 281.319, 3 mid: mol2, SDF, SMILES, flexibase 2.05,6.2,-32.11,5,6,1, 282.327, 3 | |
| 13209343 #52
| BOC Sciences BB (Depleted): 13502-59-5 Leadscope via PubChem: LS-134128 ref: mol2, SDF, SMILES, flexibase 1.33,4.66,-26.4,5,5,1, 204.257, 2 mid: mol2, SDF, SMILES, flexibase 1.33,4.15,-12.55,4,5,0, 203.249, 2 | |
| 5355433 #53
| Leadscope via PubChem: LS-134131 SureChEMBL: SCHEMBL9431457 ref: mol2, SDF, SMILES, flexibase 4.33,9.36,-10.33,0,4,0, 307.397, 5 | |
| 95890581 #54
| Leadscope via PubChem: LS-134132 SureChEMBL: SCHEMBL6644063 ref: mol2, SDF, SMILES, flexibase 0.03,4.28,-7.96,2,6,0, 234.259, 2 mid: mol2, SDF, SMILES, flexibase -3.71,4.51,-37.41,3,6,1, 235.267, 2 | |
| 95890580 #55
| Leadscope via PubChem: LS-134136 SureChEMBL: SCHEMBL9534299 ref: mol2, SDF, SMILES, flexibase -0.33,2.98,-9.69,0,5,0, 191.19, 0 | |
| 95890579 #56
| Leadscope via PubChem: LS-134137 SureChEMBL: SCHEMBL9039797 ref: mol2, SDF, SMILES, flexibase -0.67,1.17,-8.27,2,7,0, 222.204, 1 lo: mol2, SDF, SMILES, flexibase -4.34,1.57,-37.35,3,7,1, 223.212, 1 | |
| 13969147 #57
| Leadscope via PubChem: LS-134138 SureChEMBL: SCHEMBL9039454 ref: mol2, SDF, SMILES, flexibase -0.35,3.3,-8.3,1,6,0, 220.232, 1 mid: mol2, SDF, SMILES, flexibase -0.35,3.68,-38.91,2,6,1, 221.24, 1 | |
| 13969160 #58
| Leadscope via PubChem: LS-134140 SureChEMBL: SCHEMBL9037923 ref: mol2, SDF, SMILES, flexibase 0.99,4.82,-7.89,1,6,0, 248.286, 2 lo: mol2, SDF, SMILES, flexibase 0.99,5.19,-39.05,2,6,1, 249.294, 2 | |
| 95890578 #59
| Leadscope via PubChem: LS-134141 SureChEMBL: SCHEMBL9534796 ref: mol2, SDF, SMILES, flexibase 0.32,4.89,-9.39,1,6,0, 248.286, 2 | |
| 13969170 #60
| Leadscope via PubChem: LS-134142 SureChEMBL: SCHEMBL9039344 ref: mol2, SDF, SMILES, flexibase 0.30,4.6,-8.01,1,6,0, 246.27, 3 | |
| 95890577 #61
| Leadscope via PubChem: LS-134147 ref: mol2, SDF, SMILES, flexibase 2.21,6.95,-9.66,0,5,0, 316.43, 2 | |
| 95890576 #62
| Leadscope via PubChem: LS-134147 ref: mol2, SDF, SMILES, flexibase 2.21,6.95,-9.65,0,5,0, 316.43, 2 | |
| 95890575 #63
| Leadscope via PubChem: LS-134148 SureChEMBL: SCHEMBL9517428, SCHEMBL10377927 ref: mol2, SDF, SMILES, flexibase 3.20,11.33,-62.63,1,8,-1, 423.445, 9 mid: mol2, SDF, SMILES, flexibase 3.20,11.72,-79.11,2,8,0, 424.453, 9 hi: mol2, SDF, SMILES, flexibase 3.20,12.31,-109.14,0,8,-2, 422.437, 9 lo: mol2, SDF, SMILES, flexibase 3.20,9.85,-59.33,3,8,1, 425.461, 9 | |
| 33892976 #64
| Leadscope via PubChem: LS-134149 ref: mol2, SDF, SMILES, flexibase -0.83,7.38,-51.17,0,11,-1, 334.268, 2 | |
| 33882489 #65
| Leadscope via PubChem: LS-134161 SureChEMBL: SCHEMBL9686141 ref: mol2, SDF, SMILES, flexibase 2.46,11.66,-19.63,2,11,0, 462.514, 5 mid: mol2, SDF, SMILES, flexibase 2.46,11.96,-38.86,3,11,1, 463.522, 5 | |
| 33882491 #66
| Leadscope via PubChem: LS-134162 ref: mol2, SDF, SMILES, flexibase 2.09,10.71,-19.81,2,11,0, 448.487, 4 mid: mol2, SDF, SMILES, flexibase 2.09,11.02,-39.01,3,11,1, 449.495, 4 | |
| 33865395 #67
| Leadscope via PubChem: LS-134163 SureChEMBL: SCHEMBL11360548 ref: mol2, SDF, SMILES, flexibase 2.90,8.85,-34.41,1,3,1, 231.319, 3 mid: mol2, SDF, SMILES, flexibase 2.90,8.45,-11.53,0,3,0, 230.311, 3 | |
| 33865398 #68
| Leadscope via PubChem: LS-134164 SureChEMBL: SCHEMBL6216602, SCHEMBL11369794 ref: mol2, SDF, SMILES, flexibase 3.06,8.24,-35.84,1,3,1, 217.292, 3 mid: mol2, SDF, SMILES, flexibase 3.06,7.84,-12.41,0,3,0, 216.284, 3 | |
| 33865436 #69
| Leadscope via PubChem: LS-134166 SureChEMBL: SCHEMBL11360651, SCHEMBL11357352 ref: mol2, SDF, SMILES, flexibase 2.75,6.78,-9.73,0,3,0, 222.675, 1 mid: mol2, SDF, SMILES, flexibase 2.75,7.19,-36.63,1,3,1, 223.683, 1 | |
| 33984287 #70
| Leadscope via PubChem: LS-134168 ref: mol2, SDF, SMILES, flexibase 3.25,7.4,-12.27,1,4,0, 283.718, 2 hi: mol2, SDF, SMILES, flexibase 3.70,5.54,-46.55,0,4,-1, 282.71, 2 | |
| 95890574 #71
| Leadscope via PubChem: LS-134170 ref: mol2, SDF, SMILES, flexibase 0.94,7.86,-47.41,1,5,1, 247.322, 5 hi: mol2, SDF, SMILES, flexibase 0.94,5.75,-11.93,0,5,0, 246.314, 5 | |
| 33878699 #72
| Leadscope via PubChem: LS-134171 ref: mol2, SDF, SMILES, flexibase 1.02,7.69,-48.21,1,5,1, 261.349, 5 hi: mol2, SDF, SMILES, flexibase 1.02,5.56,-11.6,0,5,0, 260.341, 5 | |
| 3608332 #73
| Leadscope via PubChem: LS-134172 ref: mol2, SDF, SMILES, flexibase 1.51,7.76,-20.84,0,8,0, 329.36, 5 | |
| 33882493 #74
| Leadscope via PubChem: LS-134173 ref: mol2, SDF, SMILES, flexibase 2.48,12.5,-17.12,2,11,0, 464.53, 5 mid: mol2, SDF, SMILES, flexibase 2.48,12.79,-36.85,3,11,1, 465.538, 5 | |
| 33882492 #75
| Leadscope via PubChem: LS-134174 ref: mol2, SDF, SMILES, flexibase 1.85,11.19,-18.51,2,11,0, 464.53, 5 mid: mol2, SDF, SMILES, flexibase 1.85,11.47,-38.89,3,11,1, 465.538, 5 | |
| 33865396 #76
| Leadscope via PubChem: LS-134178 SureChEMBL: SCHEMBL11368128, SCHEMBL11353116 ref: mol2, SDF, SMILES, flexibase 2.06,7.27,-32.74,1,3,1, 203.265, 1 mid: mol2, SDF, SMILES, flexibase 2.06,6.87,-11.48,0,3,0, 202.257, 1 | |
| 33865435 #77
| Leadscope via PubChem: LS-134179 SureChEMBL: SCHEMBL11369573, SCHEMBL11363269 ref: mol2, SDF, SMILES, flexibase 2.34,8.07,-34.34,1,3,1, 217.292, 2 mid: mol2, SDF, SMILES, flexibase 2.34,7.67,-11.62,0,3,0, 216.284, 2 | |
| 33865399 #78
| Leadscope via PubChem: LS-134181 SureChEMBL: SCHEMBL11360549, SCHEMBL11359916 ref: mol2, SDF, SMILES, flexibase 2.74,7.95,-31.55,1,3,1, 217.292, 1 mid: mol2, SDF, SMILES, flexibase 2.74,7.55,-10.63,0,3,0, 216.284, 1 | |
| 38811435 #79
| Leadscope via PubChem: LS-134182 ref: mol2, SDF, SMILES, flexibase 2.17,9.04,-20.24,0,8,0, 355.398, 3 Similar to: 42652300, 42652301, 42652302, | |
| 33878692 #80
| Leadscope via PubChem: LS-134183 ref: mol2, SDF, SMILES, flexibase -0.53,1.61,-15.93,1,7,0, 304.35, 4 mid: mol2, SDF, SMILES, flexibase -0.53,3.9,-53.75,2,7,1, 305.358, 4 | |
| 33878691 #81
| Leadscope via PubChem: LS-134183 ref: mol2, SDF, SMILES, flexibase -0.53,1.22,-16.05,1,7,0, 304.35, 4 mid: mol2, SDF, SMILES, flexibase -0.53,3.5,-53.63,2,7,1, 305.358, 4 | |
| 23400531 #82
| Leadscope via PubChem: LS-134184 ref: mol2, SDF, SMILES, flexibase -0.62,1.69,-16.21,1,7,0, 290.323, 4 mid: mol2, SDF, SMILES, flexibase -0.62,4,-53.15,2,7,1, 291.331, 4 Similar to: 88427, 19925078, | |
| 23400533 #83
| Leadscope via PubChem: LS-134184 ref: mol2, SDF, SMILES, flexibase -0.62,1.18,-17.87,1,7,0, 290.323, 4 mid: mol2, SDF, SMILES, flexibase -0.62,3.45,-53.64,2,7,1, 291.331, 4 Similar to: 88427, 19925078, | |
| 33878698 #84
| Leadscope via PubChem: LS-134185 ref: mol2, SDF, SMILES, flexibase 0.10,3.05,-13.99,0,6,0, 260.297, 2 mid: mol2, SDF, SMILES, flexibase 0.10,5.6,-49.56,1,6,1, 261.305, 2 | |
| 95890573 #85
| Leadscope via PubChem: LS-134186 ref: mol2, SDF, SMILES, flexibase 0.65,7.97,-49.02,1,9,1, 357.394, 3 mid: mol2, SDF, SMILES, flexibase 0.65,5.61,-21.44,0,9,0, 356.386, 3 | |
| 6072149 #86
| Chembo Pharma: KB-231394 Leadscope via PubChem: LS-134187 ref: mol2, SDF, SMILES, flexibase 1.17,8.02,-46.68,1,5,1, 259.333, 2 hi: mol2, SDF, SMILES, flexibase 1.17,5.54,-12.71,0,5,0, 258.325, 2 | |
| 33865397 #87
| Leadscope via PubChem: LS-134188 SureChEMBL: SCHEMBL11357339, SCHEMBL11352383, SCHEMBL11357125 ref: mol2, SDF, SMILES, flexibase 2.51,7.06,-12.46,0,3,0, 202.257, 2 mid: mol2, SDF, SMILES, flexibase 2.51,7.46,-35.78,1,3,1, 203.265, 2 | |
| 95890572 #88
| Leadscope via PubChem: LS-134190 ref: mol2, SDF, SMILES, flexibase 0.02,2.91,-13.81,0,6,0, 246.27, 2 mid: mol2, SDF, SMILES, flexibase 0.02,5.1,-49.25,1,6,1, 247.278, 2 | |
| 38811431 #89
| Leadscope via PubChem: LS-134191 ref: mol2, SDF, SMILES, flexibase 1.66,8.11,-20.84,0,8,0, 341.371, 3 Similar to: 42652300, 42652301, 42652302, | |
| 33984286 #90
| Leadscope via PubChem: LS-134192 ref: mol2, SDF, SMILES, flexibase 2.57,6.88,-11.82,1,4,0, 249.273, 2 mid: mol2, SDF, SMILES, flexibase 3.03,5.02,-49.28,0,4,-1, 248.265, 2 | |
| 95890571 #91
| Leadscope via PubChem: LS-134193 ref: mol2, SDF, SMILES, flexibase 1.08,7.51,-47.28,1,5,1, 245.306, 2 hi: mol2, SDF, SMILES, flexibase 1.08,5.37,-12.98,0,5,0, 244.298, 2 | |
| 33754454 #92
| Leadscope via PubChem: LS-134194 ref: mol2, SDF, SMILES, flexibase 1.59,2.1,-48.02,0,5,-1, 223.215, 1 mid: mol2, SDF, SMILES, flexibase 1.13,3.94,-11.53,1,5,0, 224.223, 1 lo: mol2, SDF, SMILES, flexibase 1.59,2.57,-54.04,1,5,0, 224.223, 1 | |
| 38816652 #93
| Leadscope via PubChem: LS-134197 ref: mol2, SDF, SMILES, flexibase 1.55,8.79,-17.33,0,8,0, 359.43, 3 | |
| 95890570 #94
| Leadscope via PubChem: LS-134199 SureChEMBL: SCHEMBL11362227 ref: mol2, SDF, SMILES, flexibase 2.75,8.58,-12.82,0,3,0, 240.306, 1 | |
| 5133809 #95
| Leadscope via PubChem: LS-134200 ref: mol2, SDF, SMILES, flexibase 1.04,7.86,-17.84,0,8,0, 345.403, 3 | |
| 33984288 #96
| Leadscope via PubChem: LS-134201 ref: mol2, SDF, SMILES, flexibase 2.20,6.05,-16.95,1,7,0, 339.351, 5 mid: mol2, SDF, SMILES, flexibase 2.66,4.16,-49.22,0,7,-1, 338.343, 5 | |
| 33865394 #97
| Leadscope via PubChem: LS-134202 SureChEMBL: SCHEMBL11356063 ref: mol2, SDF, SMILES, flexibase 1.49,6.6,-33.68,1,3,1, 189.238, 0 mid: mol2, SDF, SMILES, flexibase 1.49,6.19,-11.7,0,3,0, 188.23, 0 | |
| 3608683 #98
| Leadscope via PubChem: LS-134203
| |
| 3608682 #99
| Leadscope via PubChem: LS-134203
| |
| 3623622 #100
| Leadscope via PubChem: LS-134204
|
Old detail retrieval took 1 seconds.
start 0 size 100
select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 758 ) limit 0,100
Smiles were