UCSF

ZINC64281288

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 2011 35 No

Popular Name: 2-[[(2R)-2-ethoxy-3-(hexadecanoylamino)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium 2-[[(2R)-2-ethoxy-3-(hexadecanoy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-9-O Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other Other 460 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 460 0.25 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.