UCSF

ZINC27314732

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 31 Yes

Popular Name: [(9R,10S)-8,8-dimethyl-9-[(2S)-2-methylbutanoyl]oxy-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] [(9R,10S)-8,8-dimethyl-9-[(2S)-2…

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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) 5.56 14.23 -22.55 0 7 0 92 430.497 8 ↓

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 7000 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 7000 0.23 Functional ≤ 10μM

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