Wikipedija

VIR-576

VIR-576 je organsko jedinjenje, koje sadrži 224 atoma ugljenika i ima molekulsku masu od 4483,334 Da.

VIR-576
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
ATC kod J05AX
PubChem[1][2] 16729392
Hemijski podaci
Formula C224H322N42O51S2 
Mol. masa 4483,334
SMILES eMolekuli & PubHem
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Osobine

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Osobina Vrednost
Broj akceptora vodonika 56
Broj donora vodonika 41
Broj rotacionih veza 91
Particioni koeficijent[3] (ALogP) -2,9
Rastvorljivost[4] (logS, log(mol/L)) -37,8
Polarna površina[5] (PSA, Å2) 1420,2

Reference

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  1. ↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.  edit
  2. ↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1. 
  3. ↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A 102: 3762-3772. DOI:10.1021/jp980230o. 
  4. ↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488-1493. DOI:10.1021/ci000392t. PMID 11749573. 
  5. ↑ Ertl P., Rohde B., Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714-3717. DOI:10.1021/jm000942e. PMID 11020286. 

Literatura

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Spoljašnje veze

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  Portal Medicina
  Portal Hemija
Izvor: https://sh.wikipedia.org/w/index.php?title=VIR-576&oldid=41490013