LigandBoxID:D00413

NAME:Zidovudine;Retrovir
SMILES: N=N=NC2CC(N1C=C(C(NC1=O)=O)C)OC2CO

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00413

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C10H13N5O4 267.245 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 3 -0.3326 -9.7589
LOGS LOGP    
-2.6394 -1.5451    

Links to the same SMILES compounds

LIGANDBOX C07210 KSH2016-00020828 PDB_AZZ
CHEMBL CHEMBL1253612 CHEMBL129 CHEMBL1314057 CHEMBL178240 CHEMBL223306
CHEMBL245888 CHEMBL26318 CHEMBL603788 CHEMBL72013
ZINC ZINC00389486 ZINC01303437 ZINC03779042 ZINC03831618 ZINC03831619
ZINC03831620 ZINC03831621 ZINC03978074 ZINC04245659 ZINC04245660 ZINC04467870
ZINC04529534 ZINC04529535 ZINC11592709
PUBCHEM 10220987 11043760 11097575 11277142 11970169
15342951 15955866 15958712 160352 16077673 16398721
16725336 16729299 16729300 17747005 20835921 20849342
21115111 21115114 21123836 21145440 21145442 23624138
3000244 3000652 3035471 3246700 35370 42630829
44135542 44312932 44459101 451515 451561 451570
451584 451752 451758 451759 451760 451762
451763 451764 451768 451772 451802 451803
451804 451805 451806 451807 451809 452289
452657 453485 453486 454218 454854 455007
455299 455337 455642 455755 456049 456260
456348 456571 457708 460507 462222 462224
463901 467503 467506 467907 468206 46874298
470152 471533 471908 473379 475830 475840
476410 478741 480148 484335 487172 49771617
49771622 49772524 49772933 49772938 49772939 49849901
51346748 515190 5272751 5279484 5279486 5279487
5279488 5279505 5279506 53239239 54692935 54706523
5481363 56846050 5726 5742629 59948817 6327751
6475495 6481444 6604386 6713644 6713933 9828717
9846955 9866458 9881991 9891880 9928027 9932324
9934782 9952199


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