UCSF

ZINC01855561

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 27 Yes

Popular Name: tetramethyl(propyl)BLAHquinone tetramethyl(propyl)BLAHquinone

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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) 4.83 4.16 -15.65 0 5 0 65 368.429 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 330 0.34 Functional ≤ 10μM
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 6760 0.27 Functional ≤ 10μM
Z80076-1-O CEM-SS (T-cell Leukemia) (cluster #1 Of 5), Other Other 9300 0.26 Functional ≤ 10μM
Z80294-1-O MT2 (Lymphocytes) (cluster #1 Of 1), Other Other 560 0.32 Functional ≤ 10μM
Z80566-1-O U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other Other 3000 0.29 Functional ≤ 10μM
Z80662-1-O AA5 (cluster #1 Of 1), Other Other 2800 0.29 Functional ≤ 10μM
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 620 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80662 Z80662 AA5 2800 0.29 Functional ≤ 10μM
Z80874 Z80874 CEM (T-cell Leukemia) 1090 0.31 Functional ≤ 10μM
Z80076 Z80076 CEM-SS (T-cell Leukemia) 1000 0.31 Functional ≤ 10μM
Z50587 Z50587 Homo Sapiens 1760 0.30 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 1470 0.30 Functional ≤ 10μM
Z80294 Z80294 MT2 (Lymphocytes) 2620 0.29 Functional ≤ 10μM
Z80566 Z80566 U-937 (Histiocytic Lymphoma Cells) 3000 0.29 Functional ≤ 10μM

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