UCSF

ZINC66066487

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 35 No

Popular Name: (2R)-N-dimethoxyphosphoryl-4-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2 (2R)-N-dimethoxyphosphoryl-4-[(1…

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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
Ref Reference (pH 7) 3.77 10.91 -56.39 2 7 1 70 497.6 10 ↓
Hi High (pH 8-9.5) 3.77 8.71 -16.5 1 7 0 69 496.592 10 ↓
Mid Mid (pH 6-8) 3.77 11.83 -105.13 3 7 2 71 498.608 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 77 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 77 0.28 Functional ≤ 10μM

Rings

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

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