• UNII FDA
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Records 54901 to 54920 of 55865
 
PUBCHEM ID
UNII
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Total Surface Area
Relative PSA
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
112500519 2BB2JVQ071 mol2, pdbqt 623,05 0,13795 111,85 -6,654 703,118 9,0064 8 4 2 -17,511 4,78592706352341E-02
112500521 J4XOG773BG mol2, pdbqt 595,53 0,14433 111,85 -6,114 675,064 8,0976 8 4 2 -17,511 5,41068246532732E-02
112500523 KD6ME31PC8 mol2, pdbqt 540,49 0,15902 111,85 -5,034 618,957 6,28 8 4 2 -17,511 8,12757197958561E-02
112500525 5ESS0B718U mol2, pdbqt 275,62 0,36376 123,49 -4,071 370,364 0,4829 9 4 0 0,97681 0,322948212447642
112500526 5I303JP809 mol2, pdbqt 311,85 0,42549 164,3 -2,984 435,436 0,5305 11 4 1 -0,12186 0,208520777008502
112500528 9BI734O27D mol2, pdbqt 373,98 0,41005 188,54 -4,076 515,497 0,8777 13 6 3 -1,7408 0,12795989154347
112500530 E870GG03OG mol2, pdbqt 323,24 0,10874 38,82 -5,408 442,964 4,724 5 1 0 6,4648 0,456412193567661
112500531 8Y254E6O9Y mol2, pdbqt 297,61 0,40486 146,28 -1,992 408,502 -0,1458 8 2 0 -0,40558 0,357781321894582
112500532 PBI9RRK02V mol2, pdbqt 303,94 0,2641 95,1 -3,781 433,463 2,2349 8 2 0 4,7595 0,260355126890159
112500533 FS5Z21939Z mol2, pdbqt 159,52 0,13453 21,26 -2,349 191,273 2,0312 2 1 0 2,3452 0,891330747109691
112500534 1C25E596YG mol2, pdbqt 159,52 0,13453 21,26 -2,349 191,273 2,0312 2 1 0 2,3452 0,891330747109691
112500535 6Y30GI62P2 mol2, pdbqt 166,91 0,27608 52,6 -2,406 220,223 1,0649 4 0 0 -3,0152 0,491916481977951
112500536 3U77H8TN7N mol2, pdbqt 185,77 0,23954 47,56 -3,518 235,282 1,7787 4 1 0 2,3625 0,834663624564038
112500537 7Y6SQY4F6G mol2, pdbqt 306,76 0,38985 144,07 -3,532 419,437 1,6006 10 3 0 0,059685 0,209663089085189
112500539 G013B5478J mol2, pdbqt 912,96 0,31111 369,66 -6,192 1226,41 -1,3554 25 13 3 -1,4243 0,183879290550768
112500540 H4S7L81L98 mol2, pdbqt 269,08 0,1475 49,77 -3,032 352,88 1,7785 4 1 0 4,4126 0,407193131884255
112500541 JQZ2PMN6BP mol2, pdbqt 247,71 0,014331 3,24 -4,504 313,871 4,5851 1 0 0 1,6914 0,570009466977036
112500542 252AVP8DH5 mol2, pdbqt 232,25 0,071432 20,31 -4,52 293,837 3,9562 2 0 0 1,5364 0,369811080831488
112500543 I4QL0KKG3K mol2, pdbqt 409,4 0,4182 213,97 -1,883 536,669 -2,4531 12 4 2 -11,91 0,20427541995105
112500544 O465G4R4R9 mol2, pdbqt 358,69 0,33962 130,89 -2,89 456,637 2,3712 7 2 0 2,3525 0,71142420188904
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Records 54901 to 54920 of 55865
These data are only available for scientific research purposes.