UCSF

ZINC04391818

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 31 Yes

Popular Name: [dimethyl-(3-methylbutanoyloxy)-oxo-BLAHyl] [dimethyl-(3-methylbutanoyloxy)-…

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Download: MOL2 SDF SMILES Flexibase

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) 5.00 5.84 -18.56 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% )