UCSF

ZINC29217811

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 29 No

Popular Name: 1-[(2R,5R)-5-[[(3S)-8,10-dimethyl-3-oxo-2,4-dioxa-3$l^{5}-phosphabicyclo[4.4.0]deca-1(6),7,9-trien-3 1-[(2R,5R)-5-[[(3S)-8,10-dimethy…

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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) 1.63 6.74 -18 1 9 0 109 420.358 4 ↓

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 100 0.34 Functional ≤ 10μM
Z80295-2-O MT4 (Lymphocytes) (cluster #2 Of 8), Other Other 80 0.34 Functional ≤ 10μM
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 93 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80874 Z80874 CEM (T-cell Leukemia) 100 0.34 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 100 0.34 Functional ≤ 10μM
Z80295 Z80295 MT4 (Lymphocytes) 25 0.37 Functional ≤ 10μM

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