UCSF

ZINC66166636

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 38 Yes

Popular Name: (2E)-2-[6-[(E)-(5-oxo-1-pentyl-imidazolidin-2-ylidene)amino]acridin-3-yl]imino-3-pentyl-imidazolidin (2E)-2-[6-[(E)-(5-oxo-1-pentyl-i…

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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) -2.37 16.78 -82.33 4 9 2 101 515.662 12 ↓
Mid Mid (pH 6-8) -2.37 17.16 -170.78 5 9 3 102 516.67 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80156-10-O HL-60 (Promyeloblast Leukemia Cells) (cluster #10 Of 12), Other Other 8590 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 5310 0.19 Functional ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.