UCSF

ZINC05650422

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 20 Yes

Popular Name: 1,14-Bis(ethylamino)-5,10-diazatetradecane; 1,4-Butanediamine, N,N'-bis(4-(ethylamino)butyl)-; BE-4-4-4; BEHSpm; C16H38N4; DEHSPM; DRG-0203; Diethylhomospermine; LS-45654; N(1),N(14)-bis(ethyl)homospermine; N(1),N(14)-diethylhomospermine; N(sup 1),N(sup 1 1,14-Bis(ethylamino)-5,10-diazat…

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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) 0.43 7.18 -241.15 8 4 4 66 290.54 17 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-7-O L1210 (Lymphocytic Leukemia Cells) (cluster #7 Of 12), Other Other 70 0.50 Functional ≤ 10μM
Z81072-7-O Jurkat (Acute Leukemic T-cells) (cluster #7 Of 10), Other Other 8800 0.35 Functional ≤ 10μM
Z81248-2-O Malme-3M (Melanoma Cells) (cluster #2 Of 3), Other Other 1000 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81072 Z81072 Jurkat (Acute Leukemic T-cells) 200 0.47 Functional ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 1400 0.41 Functional ≤ 10μM
Z81248 Z81248 Malme-3M (Melanoma Cells) 1000 0.42 Functional ≤ 10μM

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